Chembl539736

Structural Information

Molecular Formula

C₅₆H₇₆N₈O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCO)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCO)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C)NC(=O)[C@@H](CC5=CC=C(C=C5)O)O

InChI

InChI=1S/C56H76N8O16/c1-7-31(4)46(61-51(74)43(69)29-35-15-19-37(68)20-16-35)52(75)57-39(24-26-66)49(72)62-47-32(5)80-56(79)45(30(2)3)60-50(73)41(27-34-13-17-36(67)18-14-34)63(6)55(78)42(28-33-11-9-8-10-12-33)64-44(70)22-21-40(54(64)77)59-48(71)38(23-25-65)58-53(47)76/h8-20,30-32,38-47,65-70H,7,21-29H2,1-6H3,(H,57,75)(H,58,76)(H,59,71)(H,60,73)(H,61,74)(H,62,72)/t31-,32+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47-/m0/s1

InChIKey

ZTYJFHZRHBZOQP-ZCCMQKKMSA-N

Compound name

(2S,3S)-N-[(2S)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-15-(2-hydroxyethyl)-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanamide

Related CIDs

• CID 45268666