(2R)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]-5-methyl-N-quinolin-3-yl-hexanamide

Systemtic Name: (2R)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]-5-methyl-N-quinolin-3-yl-hexanamide Openeye Name: (2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-(3-quinolyl)hexanamide CAS Name: (2R)-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-5-methyl-N-(3-quinolinyl)hexanamide IUPAC Name: (2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-quinolin-3-ylhexanamide Traditional Name: (2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-methyl-N-(3-quinolyl)hexanamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCN)N

Isomeric SMILES

CC(C)CC[C@H](C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)[C@H](CCCN)N

InChI

InChI=1S/C21H31N5O2/c1-14(2)9-10-19(26-20(27)17(23)7-5-11-22)21(28)25-16-12-15-6-3-4-8-18(15)24-13-16/h3-4,6,8,12-14,17,19H,5,7,9-11,22-23H2,1-2H3,(H,25,28)(H,26,27)/t17-,19+/m0/s1