(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-3,3-dimethyl-2-(pentan-3-ylcarbamoylamino)butanoyl]-3-(methylcarbamoyl)piperidin-2-yl]carbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-3,3-dimethyl-2-(pentan-3-ylcarbamoylamino)butanoyl]-3-(methylcarbamoyl)piperidin-2-yl]carbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-4-benzyloxy-2-[[(2S,3R)-1-[(2S)-2-(1-ethylpropylcarbamoylamino)-3,3-dimethyl-butanoyl]-3-(methylcarbamoyl)piperidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[[(2S,3R)-1-[(2S)-3,3-dimethyl-1-oxo-2-[[oxo-(pentan-3-ylamino)methyl]amino]butyl]-3-(methylcarbamoyl)-2-piperidinyl]-oxomethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-3,3-dimethyl-2-(pentan-3-ylcarbamoylamino)butanoyl]-3-(methylcarbamoyl)piperidine-2-carbonyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-4-benzoxy-2-[[(2S,3R)-1-[(2S)-2-(1-ethylpropylcarbamoylamino)-3,3-dimethyl-butanoyl]-3-(methylcarbamoyl)pipecoloyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C44H64N6O9 MolecularWeight: 821.01376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC(C(=O)N1CCCC(C1C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OCC3=CC=CC=C3)C(=O)NC)C(C)(C)C

Isomeric SMILES

CCC(CC)NC(=O)N[C@H](C(=O)N1CCC[C@H]([C@H]1C(=O)N[C@@H](CC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)OCC3=CC=CC=C3)C(=O)NC)C(C)(C)C

InChI

InChI=1S/C44H64N6O9/c1-9-31(10-2)46-43(57)49-37(44(5,6)7)41(55)50-23-17-22-32(38(52)45-8)36(50)40(54)47-33(25-35(51)58-26-29-18-13-11-14-19-29)39(53)48-34(24-28(3)4)42(56)59-27-30-20-15-12-16-21-30/h11-16,18-21,28,31-34,36-37H,9-10,17,22-27H2,1-8H3,(H,45,52)(H,47,54)(H,48,53)(H2,46,49,57)/t32-,33+,34+,36+,37-/m1/s1