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

Systemtic Name: 4-[[(2S)-2-azanyl-5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentanoyl]amino]butanoic acid Openeye Name: 4-[[(2S)-2-amino-5-oxo-5-(4-phenoxyanilino)pentanoyl]amino]butanoic acid CAS Name: 4-[[(2S)-2-amino-1,5-dioxo-5-(4-phenoxyanilino)pentyl]amino]butanoic acid IUPAC Name: 4-[[(2S)-2-amino-5-oxo-5-(4-phenoxyanilino)pentanoyl]amino]butanoic acid Traditional Name: 4-[[(2S)-2-amino-5-keto-5-(4-phenoxyanilino)pentanoyl]amino]butyric acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)NCCCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c22-18(21(28)23-14-4-7-20(26)27)12-13-19(25)24-15-8-10-17(11-9-15)29-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14,22H2,(H,23,28)(H,24,25)(H,26,27)/t18-/m0/s1