(2S)-2-[[(4S)-4-azanyl-5-[(4-methylphenyl)methylamino]-5-oxidanylidene-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(4S)-4-azanyl-5-[(4-methylphenyl)methylamino]-5-oxidanylidene-pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(4S)-4-amino-5-oxo-5-(p-tolylmethylamino)pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(4S)-4-amino-5-[(4-methylphenyl)methylamino]-1,5-dioxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(4S)-4-amino-5-[(4-methylphenyl)methylamino]-5-oxopentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(4S)-4-amino-5-keto-5-[(4-methylbenzyl)amino]pentanoyl]amino]propionic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CCC(=O)NC(C)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CCC(=O)N[C@@H](C)C(=O)O)N

InChI

InChI=1S/C16H23N3O4/c1-10-3-5-12(6-4-10)9-18-15(21)13(17)7-8-14(20)19-11(2)16(22)23/h3-6,11,13H,7-9,17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t11-,13-/m0/s1