(2S)-2-amino-4-[[(4S,23S)-23-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-4-yl]carbamoyl]butanoic acid

Molecular Formula: C27H47N9O10S2


InChI: InChI=1/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1/f/h31-36,43,45H

InChIKey: InChIKey=LZMSXDHGHZKXJD-LPGGKDDXDB
SMILES: C1CCNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCCCNC1)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N

Names:
    (2S)-2-amino-4-[[(4S,23S)-23-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-4-yl]carbamoyl]butanoic acid

Registries:
    PubChem CID 115098
    PubChem ID 10236630