CCI-1004 FREE BASE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C33H50N8O8S
Molecular Weight	718.864
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CCN([C@H](C1)C(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C3=C4NCC(C)CC4=CC=C3

InChI

InChIKey=GUHNGXSDRZCHSS-AVDUUZCASA-N

InChI=1S/C33H50N8O8S/c1-21-14-17-40(25(19-21)31(45)36-15-5-3-4-11-29(44)49-41-27(42)12-13-28(41)43)32(46)24(9-7-16-37-33(34)35)39-50(47,48)26-10-6-8-23-18-22(2)20-38-30(23)26/h6,8,10,21-22,24-25,38-39H,3-5,7,9,11-20H2,1-2H3,(H,36,45)(H4,34,35,37)/t21-,22?,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H50N8O8S
Molecular Weight	718.864
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:24:46 GMT 2023` Edited by `admin` on `Sat Dec 16 14:24:46 GMT 2023`
Record UNII	XL8MLC0MNI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CCI-1004 FREE BASE

Code

English

HEXANOIC ACID, 6-((((2R,4R)-1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-1-OXO-2-(((1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)PENTYL)-4-METHYL-2-PIPERIDINYL)CARBONYL)AMINO)-, 2,5-DIOXO-1-PYRROLIDINYL ESTER

Systematic Name

English

2-PIPERIDINECARBOXAMIDE, 1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-1-OXO-2-(((1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)PENTYL)-N-(6-((2,5-DIOXO-1-PYRROLIDINYL)OXY)-6-OXOHEXYL)-4-METHYL-, (2R,4R)-

Systematic Name

English

Code System Code Type Description

CAS

224775-74-0

Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023

PRIMARY

FDA UNII

XL8MLC0MNI

Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023

PRIMARY

PUBCHEM

9918253

Created by admin on Sat Dec 16 14:24:47 GMT 2023 , Edited by admin on Sat Dec 16 14:24:47 GMT 2023

PRIMARY

Related Record Type Details


					R401P7VHZ3

CCI-1004

SALT/SOLVATE -> PARENT