(2S)-N-(2-azanylethyl)-2-[[1-[[2,6-bis(chloranyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-[3,4-bis(fluoranyl)phenyl]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]propanamide

Systemtic Name: (2S)-N-(2-azanylethyl)-2-[[1-[[2,6-bis(chloranyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-[3,4-bis(fluoranyl)phenyl]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]propanamide Openeye Name: (2S)-N-(2-aminoethyl)-N-[2-(benzylamino)-2-oxo-ethyl]-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[[[[1-[(2,6-dichlorophenyl)methyl]-3-(1-pyrrolidinylmethyl)-6-indolyl]amino]-oxomethyl]amino]-3-(3,4-difluorophenyl)-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]propanamide IUPAC Name: (2S)-N-(2-aminoethyl)-N-[2-(benzylamino)-2-oxoethyl]-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanamide Traditional Name: (2S)-N-(2-aminoethyl)-N-[2-(benzylamino)-2-keto-ethyl]-2-[[1-(2,6-dichlorobenzyl)-3-(pyrrolidinomethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propionamide Formula: C41H43Cl2F2N7O3 MolecularWeight: 790.728026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CN(C3=C2C=CC(=C3)NC(=O)NC(CC4=CC(=C(C=C4)F)F)C(=O)N(CCN)CC(=O)NCC5=CC=CC=C5)CC6=C(C=CC=C6Cl)Cl

Isomeric SMILES

C1CCN(C1)CC2=CN(C3=C2C=CC(=C3)NC(=O)N[C@@H](CC4=CC(=C(C=C4)F)F)C(=O)N(CCN)CC(=O)NCC5=CC=CC=C5)CC6=C(C=CC=C6Cl)Cl

InChI

InChI=1S/C41H43Cl2F2N7O3/c42-33-9-6-10-34(43)32(33)25-52-24-29(23-50-16-4-5-17-50)31-13-12-30(21-38(31)52)48-41(55)49-37(20-28-11-14-35(44)36(45)19-28)40(54)51(18-15-46)26-39(53)47-22-27-7-2-1-3-8-27/h1-3,6-14,19,21,24,37H,4-5,15-18,20,22-23,25-26,46H2,(H,47,53)(H2,48,49,55)/t37-/m0/s1