tert-butyl 2-(2-azanylpropanoyl)-1-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylate

Systemtic Name: tert-butyl 2-(2-azanylpropanoyl)-1-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylate Openeye Name: tert-butyl 2-(2-aminopropanoyl)-1-(1-ethoxycarbonyl-3-phenyl-propyl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylate CAS Name: 2-(2-amino-1-oxopropyl)-1-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopropanoyl)-1-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylate Traditional Name: 2-alanyl-1-(1-carbethoxy-3-phenyl-propyl)-3a,4,5,7a-tetrahydro-3H-indole-2-carboxylic acid tert-butyl ester Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2C3C=CCCC3CC2(C(=O)C(C)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C3C=CCCC3CC2(C(=O)C(C)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H40N2O5/c1-6-34-25(32)23(17-16-20-12-8-7-9-13-20)30-22-15-11-10-14-21(22)18-28(30,24(31)19(2)29)26(33)35-27(3,4)5/h7-9,11-13,15,19,21-23H,6,10,14,16-18,29H2,1-5H3