(2S)-1-(2-azanylethanoyl)-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-(2-azanylethanoyl)-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-1-(2-aminoacetyl)-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-1-(2-amino-1-oxoethyl)-4-[(1-methyl-2-pyrrolyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-(2-aminoacetyl)-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-1-glycyl-N-[(3S)-2-keto-3-piperidyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-2-carboxamide Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)CN

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN([C@@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)CN

InChI

InChI=1S/C18H26N6O4/c1-22-7-3-5-13(22)18(28)23-8-9-24(15(25)10-19)14(11-23)17(27)21-12-4-2-6-20-16(12)26/h3,5,7,12,14H,2,4,6,8-11,19H2,1H3,(H,20,26)(H,21,27)/t12-,14-/m0/s1