(3S)-3-[2-[2-[4-[(2-aminophenyl)carbamoylamino]phenyl]ethanoyl-(4-methoxybutyl)amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (3S)-3-[2-[2-[4-[(2-aminophenyl)carbamoylamino]phenyl]ethanoyl-(4-methoxybutyl)amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (3S)-3-[[2-[[2-[4-[(2-aminophenyl)carbamoylamino]phenyl]acetyl]-(4-methoxybutyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (3S)-3-[[2-[[2-[4-[[(2-aminoanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-(4-methoxybutyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (3S)-3-[[2-[[2-[4-[(2-aminophenyl)carbamoylamino]phenyl]acetyl]-(4-methoxybutyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: (3S)-3-[[2-[[2-[4-[(2-aminophenyl)carbamoylamino]phenyl]acetyl]-(4-methoxybutyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C31H37N5O6 MolecularWeight: 575.65538

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN(CC(=O)NC(CC(=O)O)C1=CC=CC=C1)C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3N

Isomeric SMILES

COCCCCN(CC(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1)C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3N

InChI

InChI=1S/C31H37N5O6/c1-42-18-8-7-17-36(21-28(37)34-27(20-30(39)40)23-9-3-2-4-10-23)29(38)19-22-13-15-24(16-14-22)33-31(41)35-26-12-6-5-11-25(26)32/h2-6,9-16,27H,7-8,17-21,32H2,1H3,(H,34,37)(H,39,40)(H2,33,35,41)/t27-/m0/s1