1-[(2S)-2-azanyl-5-[[azanyl-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]methylidene]amino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-azanyl-5-[[azanyl-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]methylidene]amino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid Openeye Name: 1-[(2S)-2-amino-5-[[amino-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]methylene]amino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[(2S)-2-amino-5-[[amino-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]methylidene]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-amino-5-[[amino-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylic acid Traditional Name: 1-[(2S)-2-amino-5-[[amino-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]methylene]amino]pentanoyl]-4-methyl-pipecolinic acid Formula: C23H36N6O5S MolecularWeight: 508.63414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C)N

Isomeric SMILES

CC1CCN(C(C1)C(=O)O)C(=O)[C@H](CCCN=C(N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C)N

InChI

InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(24)6-4-9-26-23(25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27H,4,6,8-13,24H2,1-2H3,(H,31,32)(H3,25,26,28)/t14?,15?,17-,18?/m0/s1