(3-aminophenyl)methyl N-[(2S)-1-[[1-[[(2S)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-(4-phosphonooxyphenyl)propan-2-yl]carbamate

Systemtic Name: (3-aminophenyl)methyl N-[(2S)-1-[[1-[[(2S)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-(4-phosphonooxyphenyl)propan-2-yl]carbamate Openeye Name: (3-aminophenyl)methyl N-[(1S)-2-[[2-[[(1S)-3-amino-1-carbamoyl-3-oxo-propyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-2-oxo-1-[(4-phosphonooxyphenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-[[1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]carbamic acid (3-aminophenyl)methyl ester IUPAC Name: (3-aminophenyl)methyl N-[(2S)-1-[[1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[2-[[(1S)-3-amino-1-carbamoyl-3-keto-propyl]amino]-2-keto-1,1-dimethyl-ethyl]amino]-2-keto-1-(4-phosphonooxybenzyl)ethyl]carbamic acid (3-aminobenzyl) ester Formula: C25H33N6O10P MolecularWeight: 608.537481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)OCC2=CC(=CC=C2)N

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)OCC2=CC(=CC=C2)N

InChI

InChI=1S/C25H33N6O10P/c1-25(2,23(35)29-18(21(28)33)12-20(27)32)31-22(34)19(11-14-6-8-17(9-7-14)41-42(37,38)39)30-24(36)40-13-15-4-3-5-16(26)10-15/h3-10,18-19H,11-13,26H2,1-2H3,(H2,27,32)(H2,28,33)(H,29,35)(H,30,36)(H,31,34)(H2,37,38,39)/t18-,19-/m0/s1