(2S)-2-[[1-[(4-tert-butylphenyl)methyl]indol-5-yl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1-[(4-tert-butylphenyl)methyl]indol-5-yl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-[(4-tert-butylphenyl)methyl]indol-5-yl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[1-[(4-tert-butylphenyl)methyl]-5-indolyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-[(4-tert-butylphenyl)methyl]indol-5-yl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-(4-tert-butylbenzyl)indol-5-yl]carbamoylamino]-3-phenyl-propionic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H31N3O3/c1-29(2,3)23-11-9-21(10-12-23)19-32-16-15-22-18-24(13-14-26(22)32)30-28(35)31-25(27(33)34)17-20-7-5-4-6-8-20/h4-16,18,25H,17,19H2,1-3H3,(H,33,34)(H2,30,31,35)/t25-/m0/s1