CILENGITIDE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40N8O7.ClH
Molecular Weight	625.117
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)[C@@H]1N(C)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O

InChI

InChIKey=JSBRBZVFFMRGCI-LOPTWHKWSA-N

InChI=1S/C27H40N8O7.ClH/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16;/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);1H/t17-,18-,19+,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C27H40N8O7
Molecular Weight	588.6559
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 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 `Sat Dec 16 08:58:14 UTC 2023` Edited by `admin` on `Sat Dec 16 08:58:14 UTC 2023`
Record UNII	SW9AYG2XI2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CILENGITIDE HYDROCHLORIDE

Common Name

English

CYCLO(L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-D-PHENYLALANYL-N-METHYL-L-VALYL), HYDROCHLORIDE (1:1)

Systematic Name

English

EMD-85189

Code

English

CILENGITIDE HYDROCHLORIDE [MI]

Common Name

English

CYCLO(RGDF-N(ME)V-) HYDROCHLORIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90172265