(2S)-5-(aminocarbonylamino)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoate

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoate Openeye Name: (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-5-ureido-pentanoate CAS Name: (2S)-5-(carbamoylamino)-2-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]pentanoate IUPAC Name: (2S)-5-(carbamoylamino)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]pentanoate Traditional Name: (2S)-2-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-5-ureido-valerate Formula: C19H21ClN3O7- MolecularWeight: 438.83894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NC(CCCNC(=O)N)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)[O-]

InChI

InChI=1S/C19H22ClN3O7/c1-9-10(18(28)30-15-8-14(24)12(20)7-11(9)15)4-5-16(25)23-13(17(26)27)3-2-6-22-19(21)29/h7-8,13,24H,2-6H2,1H3,(H,23,25)(H,26,27)(H3,21,22,29)/p-1/t13-/m0/s1