(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxyethanoylamino]-3-methyl-butanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxyethanoylamino]-3-methyl-butanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(2S)-2-[[2-[(2S,3R,4R,5S,6R)-3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]-3-methyl-butanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-[[2-[[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl]oxy]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-[[2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4R)-4-[[(2S)-2-[[2-[(2S,3R,4R,5S,6R)-3-acetamido-2-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxyacetyl]amino]-3-methyl-butanoyl]amino]-5-amino-5-keto-valeric acid Formula: C27H40N4O11 MolecularWeight: 596.6267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)COC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O11/c1-14(2)21(26(39)30-17(25(28)38)9-10-20(35)36)31-19(34)13-40-24-22(29-15(3)33)27(42-18(11-32)23(24)37)41-12-16-7-5-4-6-8-16/h4-8,14,17-18,21-24,27,32,37H,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,34)(H,35,36)/t17-,18-,21+,22-,23-,24-,27+/m1/s1