2-[[1-ethoxy-1-oxidanylidene-6-(1-phenylmethoxycarbonylpiperidin-4-yl)hexan-2-yl]amino]-3-(2-nitrophenyl)propanethioic S-acid

Systemtic Name: 2-[[1-ethoxy-1-oxidanylidene-6-(1-phenylmethoxycarbonylpiperidin-4-yl)hexan-2-yl]amino]-3-(2-nitrophenyl)propanethioic S-acid Openeye Name: 2-[[5-(1-benzyloxycarbonyl-4-piperidyl)-1-ethoxycarbonyl-pentyl]amino]-3-(2-nitrophenyl)propanethioic S-acid CAS Name: 2-[[1-ethoxy-1-oxo-6-(1-phenylmethoxycarbonyl-4-piperidinyl)hexan-2-yl]amino]-3-(2-nitrophenyl)propanethioic S-acid IUPAC Name: 2-[[1-ethoxy-1-oxo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)hexan-2-yl]amino]-3-(2-nitrophenyl)propanethioic S-acid Traditional Name: 2-[[1-carbethoxy-5-(1-carbobenzoxy-4-piperidyl)pentyl]amino]-3-(2-nitrophenyl)thiopropionic acid Formula: C30H39N3O7S MolecularWeight: 585.71156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(CC3=CC=CC=C3[N+](=O)[O-])C(=O)S

Isomeric SMILES

CCOC(=O)C(CCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(CC3=CC=CC=C3[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C30H39N3O7S/c1-2-39-28(34)25(31-26(29(35)41)20-24-13-7-9-15-27(24)33(37)38)14-8-6-10-22-16-18-32(19-17-22)30(36)40-21-23-11-4-3-5-12-23/h3-5,7,9,11-13,15,22,25-26,31H,2,6,8,10,14,16-21H2,1H3,(H,35,41)