(2S)-3-methyl-2-[[(2S)-2-[[5-methyl-2-[(Z)-1-[[(4S,5R)-2,2,5-trimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]carbonylamino]prop-1-enyl]-1,3-oxazol-4-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-[[5-methyl-2-[(Z)-1-[[(4S,5R)-2,2,5-trimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]carbonylamino]prop-1-enyl]-1,3-oxazol-4-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[(Z)-1-[[(4S,5R)-3-benzyloxycarbonyl-2,2,5-trimethyl-oxazolidine-4-carbonyl]amino]prop-1-enyl]-5-methyl-oxazole-4-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[[5-methyl-2-[(Z)-1-[[oxo-[(4S,5R)-2,2,5-trimethyl-3-phenylmethoxycarbonyl-4-oxazolidinyl]methyl]amino]prop-1-enyl]-4-oxazolyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-3-hydroxy-2-[[5-methyl-2-[(Z)-1-[[(4S,5R)-2,2,5-trimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]prop-1-enyl]-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[(Z)-1-[[(4S,5R)-3-carbobenzoxy-2,2,5-trimethyl-oxazolidine-4-carbonyl]amino]prop-1-enyl]-5-methyl-oxazole-4-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butyric acid Formula: C31H41N5O10 MolecularWeight: 643.68474

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=NC(=C(O1)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)NC(=O)C2C(OC(N2C(=O)OCC3=CC=CC=C3)(C)C)C

Isomeric SMILES

C/C=C(/C1=NC(=C(O1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)\NC(=O)[C@@H]2[C@H](OC(N2C(=O)OCC3=CC=CC=C3)(C)C)C

InChI

InChI=1S/C31H41N5O10/c1-8-20(28-35-23(17(4)45-28)26(39)33-21(14-37)25(38)34-22(16(2)3)29(41)42)32-27(40)24-18(5)46-31(6,7)36(24)30(43)44-15-19-12-10-9-11-13-19/h8-13,16,18,21-22,24,37H,14-15H2,1-7H3,(H,32,40)(H,33,39)(H,34,38)(H,41,42)/b20-8-/t18-,21+,22+,24+/m1/s1