PDB CCD ID: | 3CY | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C31 H34 N4 O9 S | ||||||||||||
InChI: | InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1 | ||||||||||||
InChIKey: | PEECWFLPGAWBQR-ZJZGAYNASA-N | ||||||||||||
SMILES: |
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Name: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID | ||||||||||||
ZINC: | ZINC000038377624 |