Brengitecan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H55FN10O15
Molecular Weight	1079.0495
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)[C@H](C)OCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)[C@H](CNCC(O)=O)N8C(=O)C=CC8=O)C4=C56)C2=O

InChI

InChIKey=BYZAGRXYPADAJE-YYPSFISLSA-N

InChI=1S/C52H55FN10O15/c1-4-52(76)31-15-36-46-29(22-62(36)50(74)30(31)23-77-51(52)75)45-33(11-10-28-25(2)32(53)16-34(60-46)44(28)45)61-47(71)26(3)78-24-58-39(65)19-56-48(72)35(14-27-8-6-5-7-9-27)59-40(66)20-55-38(64)18-57-49(73)37(17-54-21-43(69)70)63-41(67)12-13-42(63)68/h5-9,12-13,15-16,26,33,35,37,54,76H,4,10-11,14,17-24H2,1-3H3,(H,55,64)(H,56,72)(H,57,73)(H,58,65)(H,59,66)(H,61,71)(H,69,70)/t26-,33-,35-,37-,52-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Ex-0115

Preferred Name

English

Brengitecan

Official Name

English

[(S)-2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-({2-[(2-{[(S)-1-({2-[({[(S)-1-({(1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl}amino)-1-oxopropan-2-yl]oxy}m

Systematic Name

English

Ex0115

Code

English

BRENGITECAN [USAN]

Common Name

English

Code System Code Type Description

USAN

MN-274