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Valorphin

CAT: 0926-FV110336-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FV110336-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144313-54-2
Synonyms
H-Val-Val-Tyr-Pro-Trp-Thr-Gln-OH; H-VVYPWTQ-OH
MDL Number
MFCD31657274
Smiles
C[C@H] ([C@@H] (C (=O) N[C@@H] (CCC (=O) O) C (=O) O) NC (=O) [C@H] (CC1=CNC2=CC=CC=C21) NC (=O) [C@@H]3CCCN3C (=O) [C@H] (CC4=CC=C (C=C4) O) NC (=O) [C@H] (C (C) C) NC (=O) [C@H] (C (C) C) N) O
Molecular Formula
C44H61N9O11
Molecular Weight
892.01 g/mol
Controlled
No

Chemical Information

Valorphin

Valorphin is an oligopeptide.

CAS Number144313-54-2
PubChem CID90470048
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
Molecular FormulaC44H60N8O12
Molecular Weight893.0
XLogP-0.8
Topological Polar Surface Area323
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Heavy Atom Count64
Formal Charge0
Complexity1660
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)O
InChI
InChI=1S/C44H60N8O12/c1-22(2)35(45)40(59)50-36(23(3)4)41(60)49-32(19-25-12-14-27(54)15-13-25)43(62)52-18-8-11-33(52)39(58)48-31(20-26-21-46-29-10-7-6-9-28(26)29)38(57)51-37(24(5)53)42(61)47-30(44(63)64)16-17-34(55)56/h6-7,9-10,12-15,21-24,30-33,35-37,46,53-54H,8,11,16-20,45H2,1-5H3,(H,47,61)(H,48,58)(H,49,60)(H,50,59)(H,51,57)(H,55,56)(H,63,64)/t24-,30+,31+,32+,33+,35+,36+,37+/m1/s1
InChIKey
CNYWVXYFCKFXLL-NMUVPRMFSA-N
Chemical Structure
2D Structure
2D structure of Valorphin
CAS: 144313-54-2
CID: 90470048
Formula: C44H60N8O12
MW: 893.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight893.0
XLogP3-0.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Exact Mass892.43306938
Monoisotopic Mass892.43306938
Topological Polar Surface Area323 Ų
Heavy Atom Count64
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M20720-01Valorphin
M21005-01Valorphin TFA
GTR18890421Valorphin peptide
H-8880.0005Leu-Valorphin-Arg

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