3-[[(2S)-2-azanyl-5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-azanyl-5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-amino-5-oxo-5-(4-phenoxyanilino)pentanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-amino-1,5-dioxo-5-(4-phenoxyanilino)pentyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-amino-5-oxo-5-(4-phenoxyanilino)pentanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-amino-5-keto-5-(4-phenoxyanilino)pentanoyl]amino]propionic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC(C(=O)NCCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c21-17(20(27)22-13-12-19(25)26)10-11-18(24)23-14-6-8-16(9-7-14)28-15-4-2-1-3-5-15/h1-9,17H,10-13,21H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1