(2S)-5-(aminocarbonylamino)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]-5-ureido-pentanoic acid CAS Name: (2S)-5-(carbamoylamino)-2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(carbamoylamino)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid Traditional Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]-5-ureido-valeric acid Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)N[C@@H](CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C15H19N5O4S/c1-9-11(25-15(18-9)20-7-2-3-8-20)12(21)19-10(13(22)23)5-4-6-17-14(16)24/h2-3,7-8,10H,4-6H2,1H3,(H,19,21)(H,22,23)(H3,16,17,24)/t10-/m0/s1