tert-butyl N-[1-[[5-(3-cyclohexylpropyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-1-oxidanylidene-4-[4-[oxidanyl(phenylmethoxy)phosphoryl]oxyphenyl]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[5-(3-cyclohexylpropyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-1-oxidanylidene-4-[4-[oxidanyl(phenylmethoxy)phosphoryl]oxyphenyl]butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[4-[benzyloxy(hydroxy)phosphoryl]oxyphenyl]-1-[[5-(3-cyclohexylpropyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamoyl]propyl]carbamate CAS Name: N-[1-[[5-(3-cyclohexylpropyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[5-(3-cyclohexylpropyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[3-[4-[benzoxy(hydroxy)phosphoryl]oxyphenyl]-1-[[5-(3-cyclohexylpropyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamoyl]propyl]carbamic acid tert-butyl ester Formula: C40H52N3O8PS MolecularWeight: 765.894941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=C(C=C1)OP(=O)(O)OCC2=CC=CC=C2)C(=O)NC3CSC4=CC=CC=C4N(C3=O)CCCC5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC1=CC=C(C=C1)OP(=O)(O)OCC2=CC=CC=C2)C(=O)NC3CSC4=CC=CC=C4N(C3=O)CCCC5CCCCC5

InChI

InChI=1S/C40H52N3O8PS/c1-40(2,3)50-39(46)42-33(25-22-30-20-23-32(24-21-30)51-52(47,48)49-27-31-15-8-5-9-16-31)37(44)41-34-28-53-36-19-11-10-18-35(36)43(38(34)45)26-12-17-29-13-6-4-7-14-29/h5,8-11,15-16,18-21,23-24,29,33-34H,4,6-7,12-14,17,22,25-28H2,1-3H3,(H,41,44)(H,42,46)(H,47,48)