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1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid

1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name:1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]proline
Formula: C21H27N3O4
MolecularWeight: 385.45678
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O)C


Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O)C


InChI

InChI=1S/C21H27N3O4/c1-12(2)18(20(26)24-9-5-6-16(24)21(27)28)22-19(25)17-11-14-10-13(3)7-8-15(14)23(17)4/h7-8,10-12,16,18H,5-6,9H2,1-4H3,(H,22,25)(H,27,28)


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