ethyl 1-[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-3-(phenylmethyl)azepane-3-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-3-(phenylmethyl)azepane-3-carboxylate Openeye Name: ethyl 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-azepane-3-carboxylate CAS Name: 1-[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-3-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzylazepane-3-carboxylate Traditional Name: 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-azepane-3-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCCN(C1)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)N)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-2-33-26(32)27(17-20-10-4-3-5-11-20)14-8-9-15-30(19-27)25(31)23(28)16-21-18-29-24-13-7-6-12-22(21)24/h3-7,10-13,18,23,29H,2,8-9,14-17,19,28H2,1H3/t23-,27?/m1/s1