ethyl 3-[[2-[(2S)-2-azanyl-3-methyl-pentanoyl]pyrazolidin-1-yl]carbonylamino]benzoate hydrochloride

Systemtic Name: ethyl 3-[[2-[(2S)-2-azanyl-3-methyl-pentanoyl]pyrazolidin-1-yl]carbonylamino]benzoate hydrochloride Openeye Name: ethyl 3-[[2-[(2S)-2-amino-3-methyl-pentanoyl]pyrazolidine-1-carbonyl]amino]benzoate hydrochloride CAS Name: 3-[[[2-[(2S)-2-amino-3-methyl-1-oxopentyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-[(2S)-2-amino-3-methylpentanoyl]pyrazolidine-1-carbonyl]amino]benzoate hydrochloride Traditional Name: 3-[[2-[(2S)-2-amino-3-methyl-pentanoyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester hydrochloride Formula: C19H29ClN4O4 MolecularWeight: 412.91096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC)N.Cl

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC)N.Cl

InChI

InChI=1S/C19H28N4O4.ClH/c1-4-13(3)16(20)17(24)22-10-7-11-23(22)19(26)21-15-9-6-8-14(12-15)18(25)27-5-2;/h6,8-9,12-13,16H,4-5,7,10-11,20H2,1-3H3,(H,21,26);1H/t13?,16-;/m0./s1