Bms-986189

Structural Information

Molecular Formula

C₉₁H₁₃₁N₂₁O₂₁S

SMILES

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CN(C5=CC=CC=C54)CC(=O)O)CCN)CC6=CNC7=CC=CC=C76)O)CC(C)C)CN)CC(=O)N)C)C)CC8=CC=C(C=C8)O)C(=O)NCC(=O)N)CC(C)C

InChI

InChI=1S/C91H131N21O21S/c1-11-13-23-70-84(126)100-61(34-49(3)4)81(123)106-68(79(121)97-43-75(95)116)47-134-48-76(117)98-64(36-52-27-29-55(113)30-28-52)87(129)107(8)51(7)78(120)102-66(40-74(94)115)89(131)111-33-19-26-71(111)85(127)105-67(41-93)83(125)103-63(35-50(5)6)90(132)112-45-56(114)39-73(112)86(128)101-62(37-53-42-96-59-22-17-15-20-57(53)59)82(124)99-60(31-32-92)80(122)104-65(88(130)109(10)72(24-14-12-2)91(133)108(70)9)38-54-44-110(46-77(118)119)69-25-18-16-21-58(54)69/h15-18,20-22,25,27-30,42,44,49-51,56,60-68,70-73,96,113-114H,11-14,19,23-24,26,31-41,43,45-48,92-93H2,1-10H3,(H2,94,115)(H2,95,116)(H,97,121)(H,98,117)(H,99,124)(H,100,126)(H,101,128)(H,102,120)(H,103,125)(H,104,122)(H,105,127)(H,106,123)(H,118,119)/t51-,56+,60-,61-,62-,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-/m0/s1

InChIKey

RHPNSCBSKKTHPG-UHADKVPGSA-N

Compound name

2-[3-[[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-42-(2-aminoethyl)-6-(aminomethyl)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-33,36-dibutyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontan-39-yl]methyl]indol-1-yl]acetic acid

Related CIDs

• CID 124085715