3-[[(3S)-1-[(4-aminophenyl)methylamino]-4-methyl-1-oxidanylidene-pentan-3-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[(3S)-1-[(4-aminophenyl)methylamino]-4-methyl-1-oxidanylidene-pentan-3-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[(1S)-3-[(4-aminophenyl)methylamino]-1-isopropyl-3-oxo-propyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[(3S)-1-[(4-aminophenyl)methylamino]-4-methyl-1-oxopentan-3-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[(3S)-1-[(4-aminophenyl)methylamino]-4-methyl-1-oxopentan-3-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[(1S)-3-[(4-aminobenzyl)amino]-1-isopropyl-3-keto-propyl]amino]-3-keto-propionic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NCC1=CC=C(C=C1)N)NC(=O)CC(=O)O

Isomeric SMILES

CC(C)[C@H](CC(=O)NCC1=CC=C(C=C1)N)NC(=O)CC(=O)O

InChI

InChI=1S/C16H23N3O4/c1-10(2)13(19-15(21)8-16(22)23)7-14(20)18-9-11-3-5-12(17)6-4-11/h3-6,10,13H,7-9,17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1