(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]oxy-phenylmethoxycarbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]oxy-phenylmethoxycarbonyl-amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-benzyloxycarbonyl-amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropoxy]-phenylmethoxycarbonylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-phenylmethoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-carbobenzoxy-amino]-3-phenyl-propionic acid Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)OCC2=CC=CC=C2)OC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N(C(=O)OCC2=CC=CC=C2)OC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C26H26N2O7/c27-22(15-19-11-13-21(29)14-12-19)25(32)35-28(26(33)34-17-20-9-5-2-6-10-20)23(24(30)31)16-18-7-3-1-4-8-18/h1-14,22-23,29H,15-17,27H2,(H,30,31)/t22-,23-/m0/s1