structure of Unii-G22T722chh

Unii-G22T722chh

CAS No.: 220137-33-7
M. Wt: 764.9
M. Fa: C44H52N4O8
InChI Key: DZBBXOKBKJHDOK-LMCLQTFVSA-N

Names and Identifiers of Unii-G22T722chh

CAS Number

220137-33-7

IUPAC Name

(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid

InChI

InChI=1S/C44H52N4O8/c1-7-26-18-27-21-43(40(52)55-6,35-29(24-47(22-26)23-27)28-12-9-10-13-32(28)45-35)31-19-30-33(20-34(31)54-5)46(4)37-42(30)15-17-48-16-11-14-41(8-2,36(42)48)38(56-25(3)49)44(37,53)39(50)51/h9-14,18-20,27,36-38,45,53H,7-8,15-17,21-24H2,1-6H3,(H,50,51)/t27-,36-,37+,38+,41+,42+,43-,44-/m0/s1

InChIKey

DZBBXOKBKJHDOK-LMCLQTFVSA-N

Canonical SMILES

CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)O)O)OC(=O)C)CC)OC)C(=O)OC

Isomeric SMILES

CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)O)O)OC(=O)C)CC)OC)C(=O)OC

UNII

G22T722CHH

Physical and chemical properties of Unii-G22T722chh

Molecular Formula

C44H52N4O8

Molecular Weight

764.9