Samrotecan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H77N7O18
Molecular Weight	1148.2574
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C5CCCC6=C(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN7C(=O)C=CC7=O)C(C)C)C=CC(N=C34)=C56)C2=O

InChI

InChIKey=OYYHJMUXFQIRBT-ZHSICCDKSA-N

InChI=1S/C57H77N7O18/c1-5-57(73)42-33-45-52-40(34-64(45)55(71)41(42)35-82-56(57)72)38-7-6-8-39-43(9-10-44(60-52)50(38)39)61-53(69)37(4)59-54(70)51(36(2)3)62-47(66)14-17-74-19-21-76-23-25-78-27-29-80-31-32-81-30-28-79-26-24-77-22-20-75-18-15-58-46(65)13-16-63-48(67)11-12-49(63)68/h9-12,33,36-37,51,73H,5-8,13-32,34-35H2,1-4H3,(H,58,65)(H,59,70)(H,61,69)(H,62,66)/t37-,51-,57-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C57H77N7O18
Molecular Weight	1148.2574
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:30:59 GMT 2025` Edited by `admin` on `Wed Apr 02 13:30:59 GMT 2025`
Record UNII	J7299D2YCZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Samrotecan

Official Name

English

AZ-14170133

Preferred Name

English

AZ14170133

Code

English

SG3932

Code

English

L-Alaninamide, N-[31-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1,29-dioxo-4,7,10,13,16,19,22,25-octaoxa-28-azahentriacont-1-yl]-L-valyl-N-[(9S)-9-ethyl-2,3,9,10,13,15-hexahydro-9-hydroxy-10,13-dioxo-1H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin

Systematic Name

English

SAMROTECAN [USAN]

Common Name

English

(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[(2S)-1-[[(10S)-10- ethyl-10-hydroxy-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]t

Systematic Name

English

SG-3932

Code

English

Code System Code Type Description

USAN

MN-77