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125399-14-6 | L-Leucinamide, N-(cyclopentylcarbonyl)-L-phenylalanyl-N-[1-(cyclohexylmethyl)-2-(dimethoxyphosphinyl)-2-hydroxyethyl]- (9CI)
CAS No: 125399-14-6 Catalog No: AG000NMB MDL No:
Product Description
Catalog Number:
AG000NMB
Chemical Name:
L-Leucinamide, N-(cyclopentylcarbonyl)-L-phenylalanyl-N-[1-(cyclohexylmethyl)-2-(dimethoxyphosphinyl)-2-hydroxyethyl]- (9CI)
CAS Number:
125399-14-6
Molecular Formula:
C32H52N3O7P
Molecular Weight:
621.7449
IUPAC Name:
N-[1-[[1-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
InChI:
InChI=1S/C32H52N3O7P/c1-22(2)19-26(30(37)35-28(21-24-15-9-6-10-16-24)32(39)43(40,41-3)42-4)34-31(38)27(20-23-13-7-5-8-14-23)33-29(36)25-17-11-12-18-25/h5,7-8,13-14,22,24-28,32,39H,6,9-12,15-21H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)
InChI Key:
VLHBSKDNBPFQLA-UHFFFAOYSA-N
SMILES:
COP(=O)(C(C(NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1)CC(C)C)CC1CCCCC1)O)OC
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.354g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
621.756g/mol
Monoisotopic Mass:
621.354g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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