CCI-1004

Details

Stereochemistry	EPIMERIC
Molecular Formula	C33H50N8O8S.2ClH
Molecular Weight	791.786
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.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=CC=CC4=C3NCC(C)C4

InChI

InChIKey=YLDJUIKPMGBPDM-LMNXXWAKSA-N

InChI=1S/C33H50N8O8S.2ClH/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);2*1H/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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:14:39 GMT 2025` Edited by `admin` on `Mon Mar 31 18:14:39 GMT 2025`
Record UNII	R401P7VHZ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CCI-1004

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, HYDROCHLORIDE (1:2)

Preferred Name

English

Code System Code Type Description

PUBCHEM

165411826

Created by admin on Mon Mar 31 18:14:39 GMT 2025 , Edited by admin on Mon Mar 31 18:14:39 GMT 2025

PRIMARY

CAS

450389-67-0

Created by admin on Mon Mar 31 18:14:39 GMT 2025 , Edited by admin on Mon Mar 31 18:14:39 GMT 2025

PRIMARY

FDA UNII

R401P7VHZ3

Created by admin on Mon Mar 31 18:14:39 GMT 2025 , Edited by admin on Mon Mar 31 18:14:39 GMT 2025

PRIMARY

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