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83903-34-8 | L-Phenylalaninamide, L-phenylalanyl-L-methionyl-L-lysyl-
CAS No: 83903-34-8 Catalog No: AG004RFL MDL No:
Product Description
Catalog Number:
AG004RFL
Chemical Name:
L-Phenylalaninamide, L-phenylalanyl-L-methionyl-L-lysyl-
CAS Number:
83903-34-8
Molecular Formula:
C29H42N6O4S
Molecular Weight:
570.7466
IUPAC Name:
(2S)-6-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanamide
InChI:
InChI=1S/C29H42N6O4S/c1-40-17-15-24(33-27(37)22(31)18-20-10-4-2-5-11-20)29(39)34-23(14-8-9-16-30)28(38)35-25(26(32)36)19-21-12-6-3-7-13-21/h2-7,10-13,22-25H,8-9,14-19,30-31H2,1H3,(H2,32,36)(H,33,37)(H,34,39)(H,35,38)/t22-,23-,24-,25-/m0/s1
InChI Key:
GHTVEIJARHGAEN-QORCZRPOSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CCSC
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
570.299g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
570.753g/mol
Monoisotopic Mass:
570.299g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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