(phenylmethyl) 4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-4-[[(2S)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-4-[[(2S)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(1S)-3-amino-1-[3-(1-naphthyl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]-4-[[(2S)-4-tert-butoxy-2-[[4-(ditert-butoxyphosphorylmethyl)phenyl]methyl]-4-oxo-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[(2S)-4-amino-1-[3-(1-naphthalenyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-4-[[(2S)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]-4-[[(2S)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(1S)-3-amino-3-keto-1-[3-(1-naphthyl)propylcarbamoyl]propyl]carbamoyl]-4-[[(2S)-4-tert-butoxy-2-[4-(ditert-butoxyphosphorylmethyl)benzyl]-4-keto-butanoyl]amino]piperidine-1-carboxylic acid benzyl ester Formula: C55H74N5O11P MolecularWeight: 1012.176721

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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)C(=O)OCC3=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)C(=O)OCC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C55H74N5O11P/c1-52(2,3)69-47(62)34-43(33-38-24-26-40(27-25-38)37-72(67,70-53(4,5)6)71-54(7,8)9)48(63)59-55(28-31-60(32-29-55)51(66)68-36-39-17-11-10-12-18-39)50(65)58-45(35-46(56)61)49(64)57-30-16-22-42-21-15-20-41-19-13-14-23-44(41)42/h10-15,17-21,23-27,43,45H,16,22,28-37H2,1-9H3,(H2,56,61)(H,57,64)(H,58,65)(H,59,63)/t43-,45-/m0/s1