ethyl (2S)-4-methyl-2-[[4-[4-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]piperidin-1-yl]phenyl]carbonylamino]pentanoate

Systemtic Name: ethyl (2S)-4-methyl-2-[[4-[4-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]piperidin-1-yl]phenyl]carbonylamino]pentanoate Openeye Name: ethyl (2S)-2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-1-piperidyl]benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-1-piperidinyl]phenyl]-oxomethyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidino]benzoyl]amino]-4-methyl-valeric acid ethyl ester Formula: C29H42N4O7S MolecularWeight: 590.73138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=CC=C(C=C1)N2CCC(CC2)NCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)C1=CC=C(C=C1)N2CCC(CC2)NC[C@@H](C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

InChI

InChI=1S/C29H42N4O7S/c1-5-40-29(37)25(16-19(2)3)31-28(36)20-6-9-23(10-7-20)33-14-12-22(13-15-33)30-18-27(35)21-8-11-26(34)24(17-21)32-41(4,38)39/h6-11,17,19,22,25,27,30,32,34-35H,5,12-16,18H2,1-4H3,(H,31,36)/t25-,27-/m0/s1