2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[4-(1H-imidazol-2-ylamino)-1-oxobutyl]amino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCNC3=NC=CN3)CC(=O)O

Isomeric SMILES

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCNC3=NC=CN3)CC(=O)O

InChI

InChI=1S/C18H23N5O4/c1-23-11-13(10-17(25)26)27-15-5-4-12(9-14(15)23)22-16(24)3-2-6-19-18-20-7-8-21-18/h4-5,7-9,13H,2-3,6,10-11H2,1H3,(H,22,24)(H,25,26)(H2,19,20,21)