VOLULORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H67ClN18O4
Molecular Weight	875.51
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@H](CCCCNC(N)=N)C(=O)NCCCN(CCCNC(=O)[C@H](N)CCCCNC(N)=N)CCOC1=CC=C(CCCCNC(=N)NC(=O)C2=NC(Cl)=C(N)N=C2N)C=C1

InChI

InChIKey=OKBDJMKISGUWNG-VSGBNLITSA-N

InChI=1S/C38H67ClN18O4/c39-30-32(43)55-31(42)29(54-30)35(60)56-38(48)53-18-4-1-9-25-12-14-26(15-13-25)61-24-23-57(21-7-19-49-33(58)27(40)10-2-5-16-51-36(44)45)22-8-20-50-34(59)28(41)11-3-6-17-52-37(46)47/h12-15,27-28H,1-11,16-24,40-41H2,(H,49,58)(H,50,59)(H4,42,43,55)(H4,44,45,51)(H4,46,47,52)(H3,48,53,56,60)/t27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H67ClN18O4
Molecular Weight	875.51
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:14:31 GMT 2023` Edited by `admin` on `Sat Dec 16 16:14:31 GMT 2023`
Record UNII	K33H7H4188
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VOLULORIDE

Official Name

English

voluloride [INN]

Common Name

English

3,5-DIAMINO-N-(N-(4-(4-(2-(BIS(3-((2R)-2-AMINO-6-(CARBAMIMIDOYLAMINO)HEXANAMIDO)PROPYL)AMINO)ETHOXY)PHENYL)BUTYL) CARBAMIMIDOYL)-6-CHLOROPYRAZINE-2-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

CAS

1498299-91-4