tert-butyl (3S)-4-[[4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-1-phenethylsulfonyl-piperidin-4-yl]amino]-3-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[[4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-1-phenethylsulfonyl-piperidin-4-yl]amino]-3-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3S)-4-[[4-[[(1S)-3-amino-1-[3-(1-naphthyl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]-1-phenethylsulfonyl-4-piperidyl]amino]-3-[[4-(ditert-butoxyphosphorylmethyl)phenyl]methyl]-4-oxo-butanoate CAS Name: (3S)-4-[[4-[[[(2S)-4-amino-1-[3-(1-naphthalenyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-phenethylsulfonyl-4-piperidinyl]amino]-3-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[[4-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]-1-phenethylsulfonylpiperidin-4-yl]amino]-3-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-oxobutanoate Traditional Name: (3S)-4-[[4-[[(1S)-3-amino-3-keto-1-[3-(1-naphthyl)propylcarbamoyl]propyl]carbamoyl]-1-phenethylsulfonyl-4-piperidyl]amino]-3-[4-(ditert-butoxyphosphorylmethyl)benzyl]-4-keto-butyric acid tert-butyl ester Formula: C55H76N5O11PS MolecularWeight: 1046.257601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CC1=CC=C(C=C1)CP(=O)(OC(C)(C)C)OC(C)(C)C)C(=O)NC2(CCN(CC2)S(=O)(=O)CCC3=CC=CC=C3)C(=O)NC(CC(=O)N)C(=O)NCCCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H](CC1=CC=C(C=C1)CP(=O)(OC(C)(C)C)OC(C)(C)C)C(=O)NC2(CCN(CC2)S(=O)(=O)CCC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C55H76N5O11PS/c1-52(2,3)69-48(62)36-44(35-40-24-26-41(27-25-40)38-72(66,70-53(4,5)6)71-54(7,8)9)49(63)59-55(29-32-60(33-30-55)73(67,68)34-28-39-17-11-10-12-18-39)51(65)58-46(37-47(56)61)50(64)57-31-16-22-43-21-15-20-42-19-13-14-23-45(42)43/h10-15,17-21,23-27,44,46H,16,22,28-38H2,1-9H3,(H2,56,61)(H,57,64)(H,58,65)(H,59,63)/t44-,46-/m0/s1