[2-[[(2S)-1-[[(2S)-1-azanyl-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-[1-[(4-methoxyphenyl)sulfonylamino]-2-phenyl-ethyl]phosphinic acid

Systemtic Name: [2-[[(2S)-1-[[(2S)-1-azanyl-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-[1-[(4-methoxyphenyl)sulfonylamino]-2-phenyl-ethyl]phosphinic acid Openeye Name: [2-[[(1S)-1-[[(1S)-2-amino-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2,2-diphenyl-ethyl]amino]-2-oxo-ethyl]-[1-[(4-methoxyphenyl)sulfonylamino]-2-phenyl-ethyl]phosphinic acid CAS Name: [2-[[(2S)-1-[[(2S)-1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-oxoethyl]-[1-[(4-methoxyphenyl)sulfonylamino]-2-phenylethyl]phosphinic acid IUPAC Name: [2-[[(2S)-1-[[(2S)-1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-oxoethyl]-[1-[(4-methoxyphenyl)sulfonylamino]-2-phenylethyl]phosphinic acid Traditional Name: [2-[[(1S)-1-[[(1S)-2-amino-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2,2-diphenyl-ethyl]amino]-2-keto-ethyl]-[1-[(4-methoxyphenyl)sulfonylamino]-2-phenyl-ethyl]phosphinic acid Formula: C43H43N4O8PS2 MolecularWeight: 838.927281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)P(=O)(CC(=O)NC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(CC5=CSC6=CC=CC=C65)C(=O)N)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)P(=O)(CC(=O)N[C@@H](C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N[C@@H](CC5=CSC6=CC=CC=C65)C(=O)N)O

InChI

InChI=1S/C43H43N4O8PS2/c1-55-33-21-23-34(24-22-33)58(53,54)47-39(25-29-13-5-2-6-14-29)56(51,52)27-38(48)46-41(40(30-15-7-3-8-16-30)31-17-9-4-10-18-31)43(50)45-36(42(44)49)26-32-28-57-37-20-12-11-19-35(32)37/h2-24,28,36,39-41,47H,25-27H2,1H3,(H2,44,49)(H,45,50)(H,46,48)(H,51,52)/t36-,39?,41-/m0/s1