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115525-98-9

115525-98-9 | L-Valinamide, glycyl-L-seryl-L-prolyl-L-methionyl-L-phenylalanyl- (9CI)

CAS No: 115525-98-9 Catalog No: AG000G3O MDL No:

Product Description

Catalog Number:
AG000G3O
Chemical Name:
L-Valinamide, glycyl-L-seryl-L-prolyl-L-methionyl-L-phenylalanyl- (9CI)
CAS Number:
115525-98-9
Molecular Formula:
C29H45N7O7S
Molecular Weight:
635.7753
IUPAC Name:
1-[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]-N-[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C29H45N7O7S/c1-17(2)24(25(31)39)35-27(41)20(14-18-8-5-4-6-9-18)34-26(40)19(11-13-44-3)33-28(42)22-10-7-12-36(22)29(43)21(16-37)32-23(38)15-30/h4-6,8-9,17,19-22,24,37H,7,10-16,30H2,1-3H3,(H2,31,39)(H,32,38)(H,33,42)(H,34,40)(H,35,41)
InChI Key:
CVXWKHQDFPDLTM-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C(C)C)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)CO

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.31g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
635.781g/mol
Monoisotopic Mass:
635.31g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
251A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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