(2S)-5-(aminocarbonylamino)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]pentanoic acid

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]pentanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-5-ureido-pentanoic acid CAS Name: (2S)-5-(carbamoylamino)-2-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(carbamoylamino)-2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]-5-ureido-valeric acid Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CCCNC(=O)N)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O)O

InChI

InChI=1S/C18H21N3O7/c1-9-13(22)5-4-11-10(8-15(24)28-16(9)11)7-14(23)21-12(17(25)26)3-2-6-20-18(19)27/h4-5,8,12,22H,2-3,6-7H2,1H3,(H,21,23)(H,25,26)(H3,19,20,27)/t12-/m0/s1