tert-butyl 6-[(2S,3S)-1-ethoxy-4-methyl-1-oxidanylidene-2-(phenylmethoxycarbonylamino)pentan-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[(2S,3S)-1-ethoxy-4-methyl-1-oxidanylidene-2-(phenylmethoxycarbonylamino)pentan-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 6-[(1S,2S)-2-(benzyloxycarbonylamino)-3-ethoxy-1-isopropyl-3-oxo-propyl]indole-1-carboxylate CAS Name: 6-[(2S,3S)-1-ethoxy-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentan-3-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(2S,3S)-1-ethoxy-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentan-3-yl]indole-1-carboxylate Traditional Name: 6-[(1S,2S)-2-(benzyloxycarbonylamino)-3-ethoxy-1-isopropyl-3-keto-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H36N2O6 MolecularWeight: 508.60594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1)C=CN2C(=O)OC(C)(C)C)C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=CC2=C(C=C1)C=CN2C(=O)OC(C)(C)C)C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O6/c1-7-35-26(32)25(30-27(33)36-18-20-11-9-8-10-12-20)24(19(2)3)22-14-13-21-15-16-31(23(21)17-22)28(34)37-29(4,5)6/h8-17,19,24-25H,7,18H2,1-6H3,(H,30,33)/t24-,25-/m0/s1