(2S)-6-(2-azanylethanoylamino)-2-[(4-phenoxyphenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-phenoxyphenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-phenoxybenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[oxo-(4-phenoxyphenyl)methyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-phenoxybenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-(glycylamino)-2-[(4-phenoxybenzoyl)amino]hexanoic 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)NC(CCCCNC(=O)CN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O

InChI

InChI=1S/C21H25N3O5/c22-14-19(25)23-13-5-4-8-18(21(27)28)24-20(26)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,23,25)(H,24,26)(H,27,28)/t18-/m0/s1