化学式

CAS号

IUPAC Name

4-[(12S,15S,18S)-15-(4-氨基丁基)-18-(3-氨基丙基)-4-氯-12-(1H-吲哚-3-甲基)-13-甲基-11,14,17-三氧代-2-硫杂-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-7-基]苯甲腈 4-[(12S,15S,18S)-15-(4-aminobutyl)-18-(3-aminopropyl)-4-chloro-12-(1H-indol-3-ylmethyl)-13-methyl-11,14,17-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-7-yl]benzonitrile

InChI

InChI=1S/C43H50ClN9O3S/c1-52-38(23-31-26-48-35-11-4-3-10-33(31)35)41(55)50-27-34-32(29-17-15-28(24-47)16-18-29)19-22-53(44)43(34)57-39-14-5-2-9-30(39)25-49-36(13-8-21-46)40(54)51-37(42(52)56)12-6-7-20-45/h2-5,9-11,14-19,26,36-38,48-49H,6-8,12-13,20-23,25,27,45-46H2,1H3,(H,50,55)(H,51,54)/t36-,37-,38-/m0/s1

InChI Key

CJPHVLBMDHSQTG-QXUSSCGESA-N

Canonical SMILES

CN1C(C(=O)NCC2=C(N(CC=C2C3=CC=C(C=C3)C#N)Cl)SC4=CC=CC=C4CNC(C(=O)NC(C1=O)CCCCN)CCCN)CC5=CNC6=CC=CC=C65

别名

• SCHEMBL21404750