(2S)-6-(2-azanylethanoylamino)-N-(2-methyl-1H-indol-5-yl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]hexanamide

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-N-(2-methyl-1H-indol-5-yl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]hexanamide Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-benzyloxyphenyl)carbamoylamino]-N-(2-methyl-1H-indol-5-yl)hexanamide CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-N-(2-methyl-1H-indol-5-yl)-2-[[oxo-(4-phenylmethoxyanilino)methyl]amino]hexanamide IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-N-(2-methyl-1H-indol-5-yl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]hexanamide Traditional Name: (2S)-2-[(4-benzoxyphenyl)carbamoylamino]-6-(glycylamino)-N-(2-methyl-1H-indol-5-yl)hexanamide Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC(=O)C(CCCCNC(=O)CN)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H36N6O4/c1-21-17-23-18-25(12-15-27(23)34-21)35-30(39)28(9-5-6-16-33-29(38)19-32)37-31(40)36-24-10-13-26(14-11-24)41-20-22-7-3-2-4-8-22/h2-4,7-8,10-15,17-18,28,34H,5-6,9,16,19-20,32H2,1H3,(H,33,38)(H,35,39)(H2,36,37,40)/t28-/m0/s1