4-[[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]piperidin-1-yl]carbonyloxymethyl]benzoic acid

Systemtic Name: 4-[[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]piperidin-1-yl]carbonyloxymethyl]benzoic acid Openeye Name: 4-[[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-carbonyl]oxymethyl]benzoic acid CAS Name: 4-[[[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-piperidinyl]-oxomethoxy]methyl]benzoic acid IUPAC Name: 4-[[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-carbonyl]oxymethyl]benzoic acid Traditional Name: 4-[[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-carbonyl]oxymethyl]benzoic acid Formula: C56H74N5O13P MolecularWeight: 1056.186221

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

InChI

InChI=1S/C56H74N5O13P/c1-53(2,3)72-47(63)33-43(32-37-19-21-39(22-20-37)36-75(70,73-54(4,5)6)74-55(7,8)9)48(64)60-56(27-30-61(31-28-56)52(69)71-35-38-23-25-42(26-24-38)50(66)67)51(68)59-45(34-46(57)62)49(65)58-29-13-17-41-16-12-15-40-14-10-11-18-44(40)41/h10-12,14-16,18-26,43,45H,13,17,27-36H2,1-9H3,(H2,57,62)(H,58,65)(H,59,68)(H,60,64)(H,66,67)/t43-,45-/m0/s1