(2S)-2-[[1-[[(3S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]hex-5-enoyl]amino]cyclohexyl]carbonylamino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide

Systemtic Name: (2S)-2-[[1-[[(3S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]hex-5-enoyl]amino]cyclohexyl]carbonylamino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide Openeye Name: (2S)-2-[[1-[[(3S)-3-[4-(ditert-butoxyphosphorylmethyl)phenyl]hex-5-enoyl]amino]cyclohexanecarbonyl]amino]-N-[(2S)-2-(1-naphthylmethyl)pent-4-enyl]butanediamide CAS Name: (2S)-2-[[[1-[[(3S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]-1-oxohex-5-enyl]amino]cyclohexyl]-oxomethyl]amino]-N-[(2S)-2-(1-naphthalenylmethyl)pent-4-enyl]butanediamide IUPAC Name: (2S)-2-[[1-[[(3S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]hex-5-enoyl]amino]cyclohexanecarbonyl]amino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide Traditional Name: (2S)-2-[[1-[[(3S)-3-[4-(ditert-butoxyphosphorylmethyl)phenyl]hex-5-enoyl]amino]cyclohexanecarbonyl]amino]-N-[(2S)-2-(1-naphthylmethyl)pent-4-enyl]succinamide Formula: C48H67N4O7P MolecularWeight: 843.041941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(CC1=CC=C(C=C1)C(CC=C)CC(=O)NC2(CCCCC2)C(=O)NC(CC(=O)N)C(=O)NCC(CC=C)CC3=CC=CC4=CC=CC=C43)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OP(=O)(CC1=CC=C(C=C1)[C@@H](CC=C)CC(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(=O)N)C(=O)NC[C@@H](CC=C)CC3=CC=CC4=CC=CC=C43)OC(C)(C)C

InChI

InChI=1S/C48H67N4O7P/c1-9-17-35(29-39-21-16-20-37-19-12-13-22-40(37)39)32-50-44(55)41(31-42(49)53)51-45(56)48(27-14-11-15-28-48)52-43(54)30-38(18-10-2)36-25-23-34(24-26-36)33-60(57,58-46(3,4)5)59-47(6,7)8/h9-10,12-13,16,19-26,35,38,41H,1-2,11,14-15,17-18,27-33H2,3-8H3,(H2,49,53)(H,50,55)(H,51,56)(H,52,54)/t35-,38-,41-/m0/s1