(3S)-4-[[4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-1-(5-phenylpentanoyl)piperidin-4-yl]amino]-4-oxidanylidene-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid

Systemtic Name: (3S)-4-[[4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-1-(5-phenylpentanoyl)piperidin-4-yl]amino]-4-oxidanylidene-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid Openeye Name: (3S)-4-[[4-[[(1S)-3-amino-1-[3-(1-naphthyl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]-1-(5-phenylpentanoyl)-4-piperidyl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid CAS Name: (3S)-4-[[4-[[[(2S)-4-amino-1-[3-(1-naphthalenyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-(1-oxo-5-phenylpentyl)-4-piperidinyl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid IUPAC Name: (3S)-4-[[4-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]-1-(5-phenylpentanoyl)piperidin-4-yl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid Traditional Name: (3S)-4-[[4-[[(1S)-3-amino-3-keto-1-[3-(1-naphthyl)propylcarbamoyl]propyl]carbamoyl]-1-(5-phenylpentanoyl)-4-piperidyl]amino]-4-keto-3-[4-(phosphonomethyl)benzyl]butyric acid Formula: C46H56N5O10P MolecularWeight: 869.938101

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NC(CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)CP(=O)(O)O)CC(=O)O)C(=O)CCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)[C@@H](CC4=CC=C(C=C4)CP(=O)(O)O)CC(=O)O)C(=O)CCCCC5=CC=CC=C5

InChI

InChI=1S/C46H56N5O10P/c47-40(52)30-39(44(57)48-25-9-16-36-15-8-14-35-13-5-6-17-38(35)36)49-45(58)46(23-26-51(27-24-46)41(53)18-7-4-12-32-10-2-1-3-11-32)50-43(56)37(29-42(54)55)28-33-19-21-34(22-20-33)31-62(59,60)61/h1-3,5-6,8,10-11,13-15,17,19-22,37,39H,4,7,9,12,16,18,23-31H2,(H2,47,52)(H,48,57)(H,49,58)(H,50,56)(H,54,55)(H2,59,60,61)/t37-,39-/m0/s1