1-[2-[[3-benzamido-2-oxidanylidene-7-(phenylmethoxycarbonylamino)heptyl]-phenylmethoxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[3-benzamido-2-oxidanylidene-7-(phenylmethoxycarbonylamino)heptyl]-phenylmethoxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-benzamido-7-(benzyloxycarbonylamino)-2-oxo-heptyl]-benzyloxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-benzamido-2-oxo-7-(phenylmethoxycarbonylamino)heptyl]-phenylmethoxycarbonylamino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-benzamido-2-oxo-7-(phenylmethoxycarbonylamino)heptyl]-phenylmethoxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-benzamido-7-(benzyloxycarbonylamino)-2-keto-heptyl]-carbobenzoxy-amino]propanoyl]proline Formula: C38H44N4O9 MolecularWeight: 700.77736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)N(CC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)N(CC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C38H44N4O9/c1-27(35(45)41-23-13-21-32(41)36(46)47)42(38(49)51-26-29-16-7-3-8-17-29)24-33(43)31(40-34(44)30-18-9-4-10-19-30)20-11-12-22-39-37(48)50-25-28-14-5-2-6-15-28/h2-10,14-19,27,31-32H,11-13,20-26H2,1H3,(H,39,48)(H,40,44)(H,46,47)