2-[[2-[4-[[(3R)-3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]phenyl]carbamoylamino]ethanoic acid

Systemtic Name: 2-[[2-[4-[[(3R)-3-[(3-azanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]phenyl]carbamoylamino]ethanoic acid Openeye Name: 2-[[2-[4-[[(3R)-3-[(3-amino-3-methyl-butanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]phenyl]carbamoylamino]acetic acid CAS Name: 2-[[[2-[4-[[(3R)-3-[(3-amino-3-methyl-1-oxobutyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]anilino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-[[(3R)-3-[(3-amino-3-methylbutanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]phenyl]carbamoylamino]acetic acid Traditional Name: 2-[[2-[4-[[(3R)-3-[(3-amino-3-methyl-butanoyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]phenyl]carbamoylamino]acetic acid Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=O)NCC(=O)O)N

Isomeric SMILES

CC(C)(CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=O)NCC(=O)O)N

InChI

InChI=1S/C31H35N5O5/c1-31(2,32)17-27(37)34-25-16-15-22-7-3-6-10-26(22)36(29(25)40)19-20-11-13-21(14-12-20)23-8-4-5-9-24(23)35-30(41)33-18-28(38)39/h3-14,25H,15-19,32H2,1-2H3,(H,34,37)(H,38,39)(H2,33,35,41)/t25-/m1/s1