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(Tyr0) -C-Peptide (human)

CAT: 0804-HY-P3620Size: 1 EachDry Ice: NoHazardous: No
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Description
(Tyr0) -C-Peptide (human) is a peptide[1].
CAS Number
57327-90-9
UNSPSC
12352209
Target
Others
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tyr0-c-peptide-human.html
Solubility
H2O
Smiles
O=C([C@H]1N(CCC1)C(CNC(CNC(CNC([C@H](CC(C)C)NC([C@H](CCC(O)=O)NC([C@H](C(C)C)NC([C@H](CCC(N)=O)NC(CNC([C@H](C(C)C)NC([C@H](CCC(N)=O)NC([C@H](CC(C)C)NC([C@H](CC(O)=O)NC([C@H](CCC(O)=O)NC([C@H](C)NC([C@H](CCC(O)=O)NC([C@@H](N)CC2=CC=C(C=C2)O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NCC(N[C@@H](C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N3[C@@H](CCC3)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(NCC(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCC(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C138H220N36O50
Molecular Weight
3183.44
References & Citations
[1]Sun H, et al. Preparation of Tyr-C-peptide from genetically altered human insulin precursor. Appl Biochem Biotechnol. 1995 Dec;55 (3) :167-74.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

(Tyr0)-C-peptide (human)
CAS Number57327-90-9
PubChem CID90473622
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC138H220N36O50
Molecular Weight3183.4
XLogP-11.6
Topological Polar Surface Area1370
Hydrogen Bond Donor Count43
Hydrogen Bond Acceptor Count51
Rotatable Bond Count105
Heavy Atom Count224
Formal Charge0
Complexity7610
SMILES
C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C138H220N36O50/c1-63(2)46-85(165-122(207)82(35-43-110(195)196)161-136(221)113(70(15)16)172-123(208)78(28-36-96(140)178)154-103(185)59-150-135(220)112(69(13)14)171-124(209)79(29-37-97(141)179)160-127(212)88(49-66(7)8)166-130(215)91(53-111(197)198)169-121(206)81(34-42-109(193)194)157-115(200)72(18)152-120(205)80(33-41-108(191)192)158-117(202)76(139)52-74-24-26-75(177)27-25-74)119(204)147-55-101(183)144-54-100(182)145-60-106(188)173-44-20-22-94(173)133(218)149-56-102(184)151-71(17)114(199)146-57-104(186)155-92(61-175)131(216)167-89(50-67(9)10)128(213)162-83(30-38-98(142)180)137(222)174-45-21-23-95(174)134(219)170-86(47-64(3)4)125(210)153-73(19)116(201)164-87(48-65(5)6)126(211)159-77(32-40-107(189)190)118(203)148-58-105(187)156-93(62-176)132(217)168-90(51-68(11)12)129(214)163-84(138(223)224)31-39-99(143)181/h24-27,63-73,76-95,112-113,175-177H,20-23,28-62,139H2,1-19H3,(H2,140,178)(H2,141,179)(H2,142,180)(H2,143,181)(H,144,183)(H,145,182)(H,146,199)(H,147,204)(H,148,203)(H,149,218)(H,150,220)(H,151,184)(H,152,205)(H,153,210)(H,154,185)(H,155,186)(H,156,187)(H,157,200)(H,158,202)(H,159,211)(H,160,212)(H,161,221)(H,162,213)(H,163,214)(H,164,201)(H,165,207)(H,166,215)(H,167,216)(H,168,217)(H,169,206)(H,170,219)(H,171,209)(H,172,208)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,223,224)/t71-,72-,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,112-,113-/m0/s1
InChIKey
AKQDHADEEKZZBX-MMWRMCFYSA-N
Chemical Structure
2D Structure
2D structure of (Tyr0)-C-peptide (human)
CAS: 57327-90-9
CID: 90473622
Formula: C138H220N36O50
MW: 3183.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3183.4
XLogP3-11.6
Hydrogen Bond Donor Count43
Hydrogen Bond Acceptor Count51
Rotatable Bond Count105
Exact Mass3182.5812570
Monoisotopic Mass3181.5779021
Topological Polar Surface Area1370 Ų
Heavy Atom Count224
Formal Charge0
Complexity7610
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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