4-[[(2R)-3-(phenylmethylsulfanyl)-2-[2-(2,3,5-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]propanoyl]amino]butanoic acid

Systemtic Name: 4-[[(2R)-3-(phenylmethylsulfanyl)-2-[2-(2,3,5-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]propanoyl]amino]butanoic acid Openeye Name: 4-[[(2R)-3-benzylsulfanyl-2-[[2-(2,3,5-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]propanoyl]amino]butanoic acid CAS Name: 4-[[(2R)-1-oxo-2-[[1-oxo-2-(2,3,5-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)ethyl]amino]-3-(phenylmethylthio)propyl]amino]butanoic acid IUPAC Name: 4-[[(2R)-3-benzylsulfanyl-2-[[2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propanoyl]amino]butanoic acid Traditional Name: 4-[[(2R)-3-(benzylthio)-2-[[2-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]propanoyl]amino]butyric acid Formula: C30H32N2O7S MolecularWeight: 564.64928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NC(CSCC4=CC=CC=C4)C(=O)NCCCC(=O)O)C)C

Isomeric SMILES

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)N[C@@H](CSCC4=CC=CC=C4)C(=O)NCCCC(=O)O)C)C

InChI

InChI=1S/C30H32N2O7S/c1-17-19(3)38-25-14-26-22(12-21(17)25)18(2)23(30(37)39-26)13-27(33)32-24(29(36)31-11-7-10-28(34)35)16-40-15-20-8-5-4-6-9-20/h4-6,8-9,12,14,24H,7,10-11,13,15-16H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)/t24-/m0/s1