(2S)-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]amino]-N-(phenylmethyl)propanamide; methanesulfonic acid

Systemtic Name: (2S)-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]amino]-N-(phenylmethyl)propanamide; methanesulfonic acid Openeye Name: (2S)-N-benzyl-3-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]-N-[3-(4-pyridyl)-1-[2-(4-pyridyl)ethyl]propyl]propanamide; methanesulfonic acid CAS Name: (2S)-3-(4-chlorophenyl)-2-[[1,2-dioxo-2-(3,4,5-trimethoxyphenyl)ethyl]-methylamino]-N-(1,5-dipyridin-4-ylpentan-3-yl)-N-(phenylmethyl)propanamide; methanesulfonic acid IUPAC Name: (2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide; methanesulfonic acid Traditional Name: (2S)-N-benzyl-3-(4-chlorophenyl)-2-[[2-keto-2-(3,4,5-trimethoxyphenyl)acetyl]-methyl-amino]-N-[3-(4-pyridyl)-1-[2-(4-pyridyl)ethyl]propyl]propionamide; mesylic acid Formula: C45H53ClN4O12S2 MolecularWeight: 941.50492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C43H45ClN4O6.2CH4O3S/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31;2*1-5(2,3)4/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3;2*1H3,(H,2,3,4)/t37-;;/m0../s1