(2R,4R)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one

Systemtic Name: (2R,4R)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one Openeye Name: (2R,4R)-1-[(2S)-5-guanidino-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 2-hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one CAS Name: (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid; 2-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-one IUPAC Name: (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one Traditional Name: (2R,4R)-1-[(2S)-5-guanidino-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-pipecolinic acid; 2-hydroxy-3-(3-keto-1-phenyl-butyl)chromone Formula: C42H52N6O9S MolecularWeight: 816.96208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C23H36N6O5S.C19H16O4/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);2-10,15,22H,11H2,1H3/t14-,15?,17+,18-;/m1./s1