4-[[(2S,3R)-2-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-methyl-pentanoyl]amino]butanoic acid

Systemtic Name: 4-[[(2S,3R)-2-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-methyl-pentanoyl]amino]butanoic acid Openeye Name: 4-[[(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methyl-pentanoyl]amino]butanoic acid CAS Name: 4-[[(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]butanoic acid IUPAC Name: 4-[[(2S,3R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylpentanoyl]amino]butanoic acid Traditional Name: 4-[[(2S,3R)-2-[[2-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methyl-pentanoyl]amino]butyric acid Formula: C29H38N2O7 MolecularWeight: 526.62122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCCC(=O)O)NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C(C)(C)C)C)OC1=O)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)NCCCC(=O)O)NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C(C)(C)C)C)OC1=O)C

InChI

InChI=1S/C29H38N2O7/c1-8-15(2)24(27(35)30-11-9-10-23(33)34)31-22(32)13-19-16(3)18-12-20-21(29(5,6)7)14-37-25(20)17(4)26(18)38-28(19)36/h12,14-15,24H,8-11,13H2,1-7H3,(H,30,35)(H,31,32)(H,33,34)/t15-,24+/m1/s1