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2-(azepan-1-ylcarbonylamino)-3-(1-methanoylindol-3-yl)propanoic acid

2-(azepan-1-ylcarbonylamino)-3-(1-methanoylindol-3-yl)propanoic acid

Systemtic Name:2-(azepan-1-ylcarbonylamino)-3-(1-methanoylindol-3-yl)propanoic acid
Openeye Name:2-(azepane-1-carbonylamino)-3-(1-formylindol-3-yl)propanoic acid
CAS Name:2-[[1-azepanyl(oxo)methyl]amino]-3-(1-formyl-3-indolyl)propanoic acid
IUPAC Name:2-(azepane-1-carbonylamino)-3-(1-formylindol-3-yl)propanoic acid
Traditional Name:2-(azepane-1-carbonylamino)-3-(1-formylindol-3-yl)propionic acid
Formula: C19H23N3O4
MolecularWeight: 357.40362
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC(CC2=CN(C3=CC=CC=C32)C=O)C(=O)O


Isomeric SMILES

C1CCCN(CC1)C(=O)NC(CC2=CN(C3=CC=CC=C32)C=O)C(=O)O


InChI

InChI=1S/C19H23N3O4/c23-13-22-12-14(15-7-3-4-8-17(15)22)11-16(18(24)25)20-19(26)21-9-5-1-2-6-10-21/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2,(H,20,26)(H,24,25)


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