2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Formula: C25H29N3O7S MolecularWeight: 515.57866

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H29N3O7S/c29-22-13-15-36-21-12-5-4-11-20(21)28(22)16-23(30)35-27-19(24(31)32)10-6-7-14-26-25(33)34-17-18-8-2-1-3-9-18/h1-5,8-9,11-12,19,27H,6-7,10,13-17H2,(H,26,33)(H,31,32)