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143794-75-6 | L-Phenylalaninamide, L-phenylalanyl-D-phenylalanyl-L-arginyl- (9CI)
CAS No: 143794-75-6 Catalog No: AG001IDD MDL No:
Product Description
Catalog Number:
AG001IDD
Chemical Name:
L-Phenylalaninamide, L-phenylalanyl-D-phenylalanyl-L-arginyl- (9CI)
CAS Number:
143794-75-6
Molecular Formula:
C33H42N8O4
Molecular Weight:
614.7378
IUPAC Name:
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
InChI:
InChI=1S/C33H42N8O4/c34-25(19-22-11-4-1-5-12-22)30(43)41-28(21-24-15-8-3-9-16-24)32(45)39-26(17-10-18-38-33(36)37)31(44)40-27(29(35)42)20-23-13-6-2-7-14-23/h1-9,11-16,25-28H,10,17-21,34H2,(H2,35,42)(H,39,45)(H,40,44)(H,41,43)(H4,36,37,38)
InChI Key:
PLDIKBPNSAZYJK-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1ccccc1
Properties
Complexity:
970
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.333g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
614.751g/mol
Monoisotopic Mass:
614.333g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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