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

Systemtic Name: (3-aminophenyl)methyl N-[(2S)-1-[[(2S)-1-[[(2S)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-3-(4-phosphonooxyphenyl)butan-2-yl]amino]-1-oxidanylidene-3-(4-phosphonooxyphenyl)propan-2-yl]carbamate Openeye Name: (3-aminophenyl)methyl N-[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-(4-phosphonooxyphenyl)propyl]amino]-2-oxo-1-[(4-phosphonooxyphenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)butan-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-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)butan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-carbamoyl-3-keto-propyl]carbamoyl]-2-(4-phosphonooxyphenyl)propyl]amino]-2-keto-1-(4-phosphonooxybenzyl)ethyl]carbamic acid (3-aminobenzyl) ester Formula: C31H38N6O14P2 MolecularWeight: 780.612742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OP(=O)(O)O)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)OCC3=CC(=CC=C3)N

Isomeric SMILES

CC(C1=CC=C(C=C1)OP(=O)(O)O)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)OCC3=CC(=CC=C3)N

InChI

InChI=1S/C31H38N6O14P2/c1-17(20-7-11-23(12-8-20)51-53(46,47)48)27(30(41)35-24(28(34)39)15-26(33)38)37-29(40)25(14-18-5-9-22(10-6-18)50-52(43,44)45)36-31(42)49-16-19-3-2-4-21(32)13-19/h2-13,17,24-25,27H,14-16,32H2,1H3,(H2,33,38)(H2,34,39)(H,35,41)(H,36,42)(H,37,40)(H2,43,44,45)(H2,46,47,48)/t17?,24-,25-,27-/m0/s1