N-[3-(2-azanylpropanoylamino)-2-oxidanyl-propyl]-2-(3-chloranyl-4-pyrrol-1-yl-phenyl)propanamide hydrochloride

Systemtic Name: N-[3-(2-azanylpropanoylamino)-2-oxidanyl-propyl]-2-(3-chloranyl-4-pyrrol-1-yl-phenyl)propanamide hydrochloride Openeye Name: N-[3-(2-aminopropanoylamino)-2-hydroxy-propyl]-2-(3-chloro-4-pyrrol-1-yl-phenyl)propanamide hydrochloride CAS Name: N-[3-[(2-amino-1-oxopropyl)amino]-2-hydroxypropyl]-2-[3-chloro-4-(1-pyrrolyl)phenyl]propanamide hydrochloride IUPAC Name: N-[3-(2-aminopropanoylamino)-2-hydroxypropyl]-2-(3-chloro-4-pyrrol-1-ylphenyl)propanamide hydrochloride Traditional Name: N-[3-(alanylamino)-2-hydroxy-propyl]-2-(3-chloro-4-pyrrol-1-yl-phenyl)propionamide hydrochloride Formula: C19H26Cl2N4O3 MolecularWeight: 429.34074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2C=CC=C2)Cl)C(=O)NCC(CNC(=O)C(C)N)O.Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2C=CC=C2)Cl)C(=O)NCC(CNC(=O)C(C)N)O.Cl

InChI

InChI=1S/C19H25ClN4O3.ClH/c1-12(18(26)22-10-15(25)11-23-19(27)13(2)21)14-5-6-17(16(20)9-14)24-7-3-4-8-24;/h3-9,12-13,15,25H,10-11,21H2,1-2H3,(H,22,26)(H,23,27);1H