6-(butylamino)-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]carbonylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(butylamino)-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]carbonylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(butylamino)-5-[[1-(1-naphthylmethyl)indole-3-carbonyl]amino]-6-oxo-hexanoic acid CAS Name: 6-(butylamino)-5-[[[1-(1-naphthalenylmethyl)-3-indolyl]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(butylamino)-5-[[1-(naphthalen-1-ylmethyl)indole-3-carbonyl]amino]-6-oxohexanoic acid Traditional Name: 6-(butylamino)-6-keto-5-[[1-(1-naphthylmethyl)indole-3-carbonyl]amino]hexanoic acid Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCCC(=O)O)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCNC(=O)C(CCCC(=O)O)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H33N3O4/c1-2-3-18-31-30(37)26(15-9-17-28(34)35)32-29(36)25-20-33(27-16-7-6-14-24(25)27)19-22-12-8-11-21-10-4-5-13-23(21)22/h4-8,10-14,16,20,26H,2-3,9,15,17-19H2,1H3,(H,31,37)(H,32,36)(H,34,35)