5-azanyl-4-[2-[(2-methyl-6-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[2-[(2-methyl-6-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[benzyl-[2-[(2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[2-[[(2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-1-oxopropyl]-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[benzyl-[2-[(2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-4-[benzyl-[2-[(3-keto-2-methyl-6-nitro-4H-1,4-benzoxazine-2-carbonyl)amino]propanoyl]amino]-5-keto-valeric acid Formula: C25H27N5O9 MolecularWeight: 541.50998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)N)NC(=O)C2(C(=O)NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)N)NC(=O)C2(C(=O)NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H27N5O9/c1-14(22(34)29(13-15-6-4-3-5-7-15)18(21(26)33)9-11-20(31)32)27-23(35)25(2)24(36)28-17-12-16(30(37)38)8-10-19(17)39-25/h3-8,10,12,14,18H,9,11,13H2,1-2H3,(H2,26,33)(H,27,35)(H,28,36)(H,31,32)