methyl 4-[[(2S)-2-azanyl-3-phenyl-propanoyl]-(phenylmethyl)amino]-1H-pyrrole-2-carboxylate hydrochloride

Systemtic Name: methyl 4-[[(2S)-2-azanyl-3-phenyl-propanoyl]-(phenylmethyl)amino]-1H-pyrrole-2-carboxylate hydrochloride Openeye Name: methyl 4-[[(2S)-2-amino-3-phenyl-propanoyl]-benzyl-amino]-1H-pyrrole-2-carboxylate hydrochloride CAS Name: 4-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-(phenylmethyl)amino]-1H-pyrrole-2-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[(2S)-2-amino-3-phenylpropanoyl]-benzylamino]-1H-pyrrole-2-carboxylate hydrochloride Traditional Name: 4-[[(2S)-2-amino-3-phenyl-propanoyl]-benzyl-amino]-1H-pyrrole-2-carboxylic acid methyl ester hydrochloride Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)N(CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N.Cl

Isomeric SMILES

COC(=O)C1=CC(=CN1)N(CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C22H23N3O3.ClH/c1-28-22(27)20-13-18(14-24-20)25(15-17-10-6-3-7-11-17)21(26)19(23)12-16-8-4-2-5-9-16;/h2-11,13-14,19,24H,12,15,23H2,1H3;1H/t19-;/m0./s1