(2S)-2-[[(3S)-3-azanyl-4-oxidanylidene-4-[(4-phenoxyphenyl)methylamino]butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(3S)-3-azanyl-4-oxidanylidene-4-[(4-phenoxyphenyl)methylamino]butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(3S)-3-amino-4-oxo-4-[(4-phenoxyphenyl)methylamino]butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(3S)-3-amino-1,4-dioxo-4-[(4-phenoxyphenyl)methylamino]butyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(3S)-3-amino-4-oxo-4-[(4-phenoxyphenyl)methylamino]butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(3S)-3-amino-4-keto-4-[(4-phenoxybenzyl)amino]butanoyl]amino]propionic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CC(C(=O)NCC1=CC=C(C=C1)OC2=CC=CC=C2)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)NCC1=CC=C(C=C1)OC2=CC=CC=C2)N

InChI

InChI=1S/C20H23N3O5/c1-13(20(26)27)23-18(24)11-17(21)19(25)22-12-14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-10,13,17H,11-12,21H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1