(3S)-4-[[4-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-1-(phenethylcarbamoyl)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-(phenethylcarbamoyl)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-(phenethylcarbamoyl)-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-[oxo-(phenethylamino)methyl]-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-(phenethylcarbamoyl)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-(phenethylcarbamoyl)-4-piperidyl]amino]-4-keto-3-[4-(phosphonomethyl)benzyl]butyric acid Formula: C44H53N6O10P MolecularWeight: 856.899581

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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)NCCC5=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)NCCC5=CC=CC=C5

InChI

InChI=1S/C44H53N6O10P/c45-38(51)28-37(41(55)46-22-7-13-34-12-6-11-33-10-4-5-14-36(33)34)48-42(56)44(20-24-50(25-21-44)43(57)47-23-19-30-8-2-1-3-9-30)49-40(54)35(27-39(52)53)26-31-15-17-32(18-16-31)29-61(58,59)60/h1-6,8-12,14-18,35,37H,7,13,19-29H2,(H2,45,51)(H,46,55)(H,47,57)(H,48,56)(H,49,54)(H,52,53)(H2,58,59,60)/t35-,37-/m0/s1