(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C23H29N3O5/c24-19(15-17-9-3-1-4-10-17)21(27)26-20(22(28)29)13-7-8-14-25-23(30)31-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,24H2,(H,25,30)(H,26,27)(H,28,29)/t19-,20-/m0/s1