CAS 123496-58-2 | L-Aspartic acid, N-[N2-[N2-(N-L-tyrosyl-L-phenylalanyl)-L-arginyl]-L-lysyl]- (9CI) | CAS Number 123496-58-2

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123496-58-2 | L-Aspartic acid, N-[N2-[N2-(N-L-tyrosyl-L-phenylalanyl)-L-arginyl]-L-lysyl]- (9CI)

CAS No: 123496-58-2 Catalog No: AG000KOH MDL No:

Product Description

Catalog Number:

AG000KOH

Chemical Name:

L-Aspartic acid, N-[N2-[N2-(N-L-tyrosyl-L-phenylalanyl)-L-arginyl]-L-lysyl]- (9CI)

CAS Number:

123496-58-2

Molecular Formula:

C34H49N9O9

Molecular Weight:

727.8078

IUPAC Name:

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]butanedioic acid

InChI:

InChI=1S/C34H49N9O9/c35-15-5-4-9-24(31(49)43-27(33(51)52)19-28(45)46)40-30(48)25(10-6-16-39-34(37)38)41-32(50)26(18-20-7-2-1-3-8-20)42-29(47)23(36)17-21-11-13-22(44)14-12-21/h1-3,7-8,11-14,23-27,44H,4-6,9-10,15-19,35-36H2,(H,40,48)(H,41,50)(H,42,47)(H,43,49)(H,45,46)(H,51,52)(H4,37,38,39)/t23-,24-,25-,26-,27-/m0/s1

InChI Key:

CEQBTJGKDCVQSE-IRGGMKSGSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N