(2S,5S,8S,11S,14S,17S,20S,23S)-23-amino-14-(2-amino-2-oxoethyl)-5-(4-aminobutyl)-11-benzyl-17,20-di((S)-sec-butyl)-8-(2-carboxyethyl)-24-hydroxy-2-isobutyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazatetracosan-1-oic acid

CAS No.

138831-86-4

MDL No.

N/A

Formula

C45H74N10O13

Molecular Weight

963.13

SMILES

[C@@H](Cc1ccccc1)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)[C@H](CC)C)[C@H](CC)C)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)CCCCN)CCC(=O)O

InChIKey

JVJGCCBAOOWGEO-RUTPOYCXSA-N

IUPAC Name

(2S,5S,8S,11S,14S,17S,20S,23S)-23-amino-14-(2-amino-2-oxoethyl)-5-(4-aminobutyl)-11-benzyl-17,20-di((S)-sec-butyl)-8-(2-carboxyethyl)-24-hydroxy-2-isobutyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazatetracosan-1-oic acid