(3S)-3-[[(2S)-2-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-5-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonylamino]pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[2-(5-ethanoyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-5-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonylamino]pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-5-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-5-[[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methyl]amino]pentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxo-5-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]pentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[2-(5-acetyl-2-methoxy-phenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-5-[(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]valeric acid Formula: C31H41N3O10 MolecularWeight: 615.67134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CNC(=O)C12CCC(C1(C)C)(C(=O)O2)C)NC(=O)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CNC(=O)C12CCC(C1(C)C)(C(=O)O2)C)NC(=O)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C31H41N3O10/c1-16(2)25(34-23(37)13-19-12-18(17(3)35)8-9-22(19)43-7)26(40)33-20(14-24(38)39)21(36)15-32-27(41)31-11-10-30(6,28(42)44-31)29(31,4)5/h8-9,12,16,20,25H,10-11,13-15H2,1-7H3,(H,32,41)(H,33,40)(H,34,37)(H,38,39)/t20-,25-,30?,31?/m0/s1