(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide hydrochloride

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide hydrochloride Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]-N-(p-tolyl)pyrrolidine-2-carboxamide hydrochloride CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-N-(4-methylphenyl)-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide hydrochloride Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]-N-(p-tolyl)pyrrolidine-2-carboxamide hydrochloride Formula: C20H31ClN4O3 MolecularWeight: 410.93814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N.Cl

InChI

InChI=1S/C20H30N4O3.ClH/c1-12(2)17(23-18(25)14(4)21)20(27)24-11-5-6-16(24)19(26)22-15-9-7-13(3)8-10-15;/h7-10,12,14,16-17H,5-6,11,21H2,1-4H3,(H,22,26)(H,23,25);1H/t14-,16-,17-;/m0./s1