化学式

CAS号

IUPAC Name

(2S)-2-[[(2S,4R)-1-(苯基磺酰基)-4-[6-(chloroamino)hexanoylamino]吡咯烷-2-羰基]氨基]-4-[[(2S)-4-甲基-2-[甲基-[2-[4-[(2-甲基苯基)carbamoylamino]苯基]乙酰基]氨基]丁酰基]氨基]丁酸 (2S)-2-[[(2S,4R)-1-(benzenesulfonyl)-4-[6-(chloroamino)hexanoylamino]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-4-methyl-2-[methyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]butanoic acid

InChI

InChI=1S/C44H59ClN8O9S/c1-29(2)25-37(52(4)40(55)26-31-18-20-32(21-19-31)49-44(60)51-35-16-11-10-13-30(35)3)41(56)46-24-22-36(43(58)59)50-42(57)38-27-33(48-39(54)17-9-6-12-23-47-45)28-53(38)63(61,62)34-14-7-5-8-15-34/h5,7-8,10-11,13-16,18-21,29,33,36-38,47H,6,9,12,17,22-28H2,1-4H3,(H,46,56)(H,48,54)(H,50,57)(H,58,59)(H2,49,51,60)/t33-,36+,37+,38+/m1/s1

InChI Key

QKUURBFWHXKNRB-MVPOBJIPSA-N

Canonical SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(C)C(CC(C)C)C(=O)NCCC(C(=O)O)NC(=O)C3CC(CN3S(=O)(=O)C4=CC=CC=C4)NC(=O)CCCCCNCl

别名

• SCHEMBL14572019