2-[[(2R)-2-azanyl-6-[(4-phenoxyphenyl)carbonylamino]hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-azanyl-6-[(4-phenoxyphenyl)carbonylamino]hexanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-amino-6-[(4-phenoxybenzoyl)amino]hexanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-amino-1-oxo-6-[[oxo-(4-phenoxyphenyl)methyl]amino]hexyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-amino-6-[(4-phenoxybenzoyl)amino]hexanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-amino-6-[(4-phenoxybenzoyl)amino]hexanoyl]amino]acetic 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)C(=O)NCCCCC(C(=O)NCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c22-18(21(28)24-14-19(25)26)8-4-5-13-23-20(27)15-9-11-17(12-10-15)29-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14,22H2,(H,23,27)(H,24,28)(H,25,26)/t18-/m1/s1