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

Systemtic Name: (2S)-2-[[1-[[(2S,3R)-2-acetamido-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]pent-4-enoyl]amino]cyclohexyl]carbonylamino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide Openeye Name: (2S)-2-[[1-[[(2S,3R)-2-acetamido-3-[4-(ditert-butoxyphosphorylmethyl)phenyl]pent-4-enoyl]amino]cyclohexanecarbonyl]amino]-N-[(2S)-2-(1-naphthylmethyl)pent-4-enyl]butanediamide CAS Name: (2S)-2-[[[1-[[(2S,3R)-2-acetamido-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]-1-oxopent-4-enyl]amino]cyclohexyl]-oxomethyl]amino]-N-[(2S)-2-(1-naphthalenylmethyl)pent-4-enyl]butanediamide IUPAC Name: (2S)-2-[[1-[[(2S,3R)-2-acetamido-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]pent-4-enoyl]amino]cyclohexanecarbonyl]amino]-N-[(2S)-2-(naphthalen-1-ylmethyl)pent-4-enyl]butanediamide Traditional Name: (2S)-2-[[1-[[(2S,3R)-2-acetamido-3-[4-(ditert-butoxyphosphorylmethyl)phenyl]pent-4-enoyl]amino]cyclohexanecarbonyl]amino]-N-[(2S)-2-(1-naphthylmethyl)pent-4-enyl]succinamide Formula: C49H68N5O8P MolecularWeight: 886.066681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H68N5O8P/c1-10-18-35(29-38-21-17-20-36-19-13-14-22-40(36)38)31-51-44(57)41(30-42(50)56)53-46(59)49(27-15-12-16-28-49)54-45(58)43(52-33(3)55)39(11-2)37-25-23-34(24-26-37)32-63(60,61-47(4,5)6)62-48(7,8)9/h10-11,13-14,17,19-26,35,39,41,43H,1-2,12,15-16,18,27-32H2,3-9H3,(H2,50,56)(H,51,57)(H,52,55)(H,53,59)(H,54,58)/t35-,39+,41-,43-/m0/s1