(2R)-2-[[(2S)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[[(2S)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[[(2S)-2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(2S)-2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[[(2S)-2-(4-butyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(2S)-2-(4-butyl-2-keto-chromen-7-yl)oxypropanoyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionate Formula: C27H27N2O7- MolecularWeight: 491.51248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N[C@H](CC3=CNC4=C3C=C(C=C4)O)C(=O)[O-]

InChI

InChI=1S/C27H28N2O7/c1-3-4-5-16-11-25(31)36-24-13-19(7-8-20(16)24)35-15(2)26(32)29-23(27(33)34)10-17-14-28-22-9-6-18(30)12-21(17)22/h6-9,11-15,23,28,30H,3-5,10H2,1-2H3,(H,29,32)(H,33,34)/p-1/t15-,23+/m0/s1