(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonyl-amino]-7-oxidanylidene-7-phenylmethoxy-heptanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonyl-amino]-7-oxidanylidene-7-phenylmethoxy-heptanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-benzyloxycarbonyl-amino]-7-benzyloxy-7-oxo-heptanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-phenylmethoxycarbonylamino]-7-oxo-7-phenylmethoxyheptanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonylamino]-7-oxo-7-phenylmethoxyheptanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-carbobenzoxy-amino]-7-benzoxy-7-keto-enanthic acid Formula: C28H33N5O7 MolecularWeight: 551.59092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCC(C(=O)O)N(C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C28H33N5O7/c29-22(27(37)39-16-19-8-3-1-4-9-19)12-7-13-24(26(35)36)33(25(34)23(30)14-21-15-31-18-32-21)28(38)40-17-20-10-5-2-6-11-20/h1-6,8-11,15,18,22-24H,7,12-14,16-17,29-30H2,(H,31,32)(H,35,36)/t22?,23-,24-/m0/s1