tert-butyl 2-(2-azanylethyl)-3-oxidanylidene-5-(5-oxidanyl-1H-indol-3-yl)-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl 2-(2-azanylethyl)-3-oxidanylidene-5-(5-oxidanyl-1H-indol-3-yl)-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl 2-(2-aminoethyl)-4-(benzyloxycarbonylamino)-5-(5-hydroxy-1H-indol-3-yl)-3-oxo-pentanoate CAS Name: 2-(2-aminoethyl)-5-(5-hydroxy-1H-indol-3-yl)-3-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminoethyl)-5-(5-hydroxy-1H-indol-3-yl)-3-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(2-aminoethyl)-4-(benzyloxycarbonylamino)-5-(5-hydroxy-1H-indol-3-yl)-3-keto-valeric acid tert-butyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCN)C(=O)C(CC1=CNC2=C1C=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CCN)C(=O)C(CC1=CNC2=C1C=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O6/c1-27(2,3)36-25(33)20(11-12-28)24(32)23(30-26(34)35-16-17-7-5-4-6-8-17)13-18-15-29-22-10-9-19(31)14-21(18)22/h4-10,14-15,20,23,29,31H,11-13,16,28H2,1-3H3,(H,30,34)