2-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 2-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]butanoic acid CAS Name: 2-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]butyric acid Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(CCNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(CCNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H35N3O5/c1-19(2)17-23(24(30)27-15-13-20-9-5-3-6-10-20)29-22(25(31)32)14-16-28-26(33)34-18-21-11-7-4-8-12-21/h3-12,19,22-23,29H,13-18H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)