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Decapeptide-12

CAT: 1596-AR-D02639-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02639-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137665-91-9
Synonyms
H-Tyr-Arg-Ser-Arg-Lys-Tyr-Ser-Ser-Trp-Tyr-OH; L-tyrosyl-L-arginyl-L-seryl-L-arginyl-L-lysyl-L-tyrosyl-L-seryl-L-seryl-L-tryptophyl-L-tyrosine; (6S,9S,12S,15S,18S,21S,24S,27S,30S) -27- ((1H-indol-3-yl) methyl) -1,1-diamino-6- ((S) -2-amino-3- (4-hydroxyphenyl) propanamido) -15- (4-aminobutyl) -12- (3- ((diaminomethylene) amino) propyl) -18,30-bis (4-hydroxybenzyl) -9,21,24-tris (hydroxymethyl) -7,10,13,16,19,22,25,28-octaoxo-2,8,11,14,17,20,23,26,29-nonaazahentriacont-1-en-31-oic acid
Molecular Formula
C65H90N18O17
Molecular Weight
1395.52
API Name
Peptide

Chemical Information

Decapeptide-12
CAS Number137665-91-9
PubChem CID25087629
IUPAC Name2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC65H90N18O17
Molecular Weight1395.5
XLogP-6.5
Topological Polar Surface Area617
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count21
Rotatable Bond Count42
Heavy Atom Count100
Formal Charge0
Complexity2690
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC5=CC=C(C=C5)O)N
InChI
InChI=1S/C65H90N18O17/c66-24-4-3-9-45(76-55(91)47(11-6-26-73-65(70)71)77-60(96)51(32-84)81-57(93)46(10-5-25-72-64(68)69)75-54(90)43(67)27-35-12-18-39(87)19-13-35)56(92)78-48(28-36-14-20-40(88)21-15-36)58(94)82-53(34-86)62(98)83-52(33-85)61(97)79-49(30-38-31-74-44-8-2-1-7-42(38)44)59(95)80-50(63(99)100)29-37-16-22-41(89)23-17-37/h1-2,7-8,12-23,31,43,45-53,74,84-89H,3-6,9-11,24-30,32-34,66-67H2,(H,75,90)(H,76,91)(H,77,96)(H,78,92)(H,79,97)(H,80,95)(H,81,93)(H,82,94)(H,83,98)(H,99,100)(H4,68,69,72)(H4,70,71,73)
InChIKey
OYVFAMLECFSFEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decapeptide-12
CAS: 137665-91-9
CID: 25087629
Formula: C65H90N18O17
MW: 1395.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1395.5
XLogP3-6.5
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count21
Rotatable Bond Count42
Exact Mass1394.67313347
Monoisotopic Mass1394.67313347
Topological Polar Surface Area617 Ų
Heavy Atom Count100
Formal Charge0
Complexity2690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes