(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxo-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]propyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]propionate Formula: C27H25N2O6- MolecularWeight: 473.4972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-])OC3=CC4=C(C=C3)C5=C(CCCC5)C(=O)O4

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-])OC3=CC4=C(C=C3)C5=C(CCCC5)C(=O)O4

InChI

InChI=1S/C27H26N2O6/c1-15(25(30)29-23(26(31)32)12-16-14-28-22-9-5-4-6-18(16)22)34-17-10-11-20-19-7-2-3-8-21(19)27(33)35-24(20)13-17/h4-6,9-11,13-15,23,28H,2-3,7-8,12H2,1H3,(H,29,30)(H,31,32)/p-1/t15-,23-/m0/s1