(E,4S)-5-methyl-4-[[4-[[3-[[(E,3S)-2-methyl-6-oxidanyl-6-oxidanylidene-hex-4-en-3-yl]carbamoyl]-2-oxidanyl-naphthalen-1-yl]methyl]-3-oxidanyl-naphthalen-2-yl]carbonylamino]hex-2-enoic acid

Systemtic Name: (E,4S)-5-methyl-4-[[4-[[3-[[(E,3S)-2-methyl-6-oxidanyl-6-oxidanylidene-hex-4-en-3-yl]carbamoyl]-2-oxidanyl-naphthalen-1-yl]methyl]-3-oxidanyl-naphthalen-2-yl]carbonylamino]hex-2-enoic acid Openeye Name: (E,4S)-4-[[3-hydroxy-4-[[2-hydroxy-3-[[(E,1S)-4-hydroxy-1-isopropyl-4-oxo-but-2-enyl]carbamoyl]-1-naphthyl]methyl]naphthalene-2-carbonyl]amino]-5-methyl-hex-2-enoic acid CAS Name: (E,4S)-4-[[[3-hydroxy-4-[[2-hydroxy-3-[[[(E,3S)-6-hydroxy-2-methyl-6-oxohex-4-en-3-yl]amino]-oxomethyl]-1-naphthalenyl]methyl]-2-naphthalenyl]-oxomethyl]amino]-5-methyl-2-hexenoic acid IUPAC Name: (E,4S)-4-[[3-hydroxy-4-[[2-hydroxy-3-[[(E,3S)-6-hydroxy-2-methyl-6-oxohex-4-en-3-yl]carbamoyl]naphthalen-1-yl]methyl]naphthalene-2-carbonyl]amino]-5-methylhex-2-enoic acid Traditional Name: (E,4S)-4-[[3-hydroxy-4-[[2-hydroxy-3-[[(E,1S)-4-hydroxy-1-isopropyl-4-keto-but-2-enyl]carbamoyl]-1-naphthyl]methyl]-2-naphthoyl]amino]-5-methyl-hex-2-enoic acid Formula: C37H38N2O8 MolecularWeight: 638.70622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CC(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C43)C(=O)NC(C=CC(=O)O)C(C)C)O

Isomeric SMILES

CC([C@H](NC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C34)C(=O)N[C@@H](C(C)C)/C=C/C(=O)O)O)/C=C/C(=O)O)C

InChI

InChI=1S/C37H38N2O8/c1-20(2)30(13-15-32(40)41)38-36(46)28-17-22-9-5-7-11-24(22)26(34(28)44)19-27-25-12-8-6-10-23(25)18-29(35(27)45)37(47)39-31(21(3)4)14-16-33(42)43/h5-18,20-21,30-31,44-45H,19H2,1-4H3,(H,38,46)(H,39,47)(H,40,41)(H,42,43)/b15-13+,16-14+/t30-,31-/m1/s1