tert-butyl 7-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]-3-phenyl-heptanoate

Systemtic Name: tert-butyl 7-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]-3-phenyl-heptanoate Openeye Name: tert-butyl 7-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]-3-phenyl-heptanoate CAS Name: 7-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]-3-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]-3-phenylheptanoate Traditional Name: 7-[(5-amidino-1H-indole-2-carbonyl)amino]-3-phenyl-enanthic acid tert-butyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O3/c1-27(2,3)34-24(32)17-19(18-9-5-4-6-10-18)11-7-8-14-30-26(33)23-16-21-15-20(25(28)29)12-13-22(21)31-23/h4-6,9-10,12-13,15-16,19,31H,7-8,11,14,17H2,1-3H3,(H3,28,29)(H,30,33)