(2S)-2-azanyl-5-[2-[2,4-bis(oxidanyl)phenyl]-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)-4-oxidanylidene-chromen-5-yl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[2-[2,4-bis(oxidanyl)phenyl]-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)-4-oxidanylidene-chromen-5-yl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[2-(2,4-dihydroxyphenyl)-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)-4-oxo-chromen-5-yl]oxy-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[2-(2,4-dihydroxyphenyl)-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)-4-oxo-1-benzopyran-5-yl]oxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[2-(2,4-dihydroxyphenyl)-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)-4-oxochromen-5-yl]oxy-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[2-(2,4-dihydroxyphenyl)-4-keto-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-5-yl]oxy-5-keto-valeric acid Formula: C31H35NO9 MolecularWeight: 565.6109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC1=C(C=C2C(=C1OC(=O)CCC(C(=O)O)N)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC

Isomeric SMILES

CC(C)/C=C/C1=C(C=C2C(=C1OC(=O)CC[C@@H](C(=O)O)N)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC

InChI

InChI=1S/C31H35NO9/c1-16(2)6-9-20-24(39-5)15-25-27(30(20)41-26(35)13-12-22(32)31(37)38)28(36)21(10-7-17(3)4)29(40-25)19-11-8-18(33)14-23(19)34/h6-9,11,14-16,22,33-34H,10,12-13,32H2,1-5H3,(H,37,38)/b9-6+/t22-/m0/s1