[4-[(2R)-2-[[(2S)-2-[(3-aminophenyl)methoxycarbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-[[(2R)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]phenyl]phosphonic acid

Systemtic Name: [4-[(2R)-2-[[(2S)-2-[(3-aminophenyl)methoxycarbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-[[(2R)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]phenyl]phosphonic acid Openeye Name: [4-[(2R)-3-[[(1R)-3-amino-1-carbamoyl-3-oxo-propyl]amino]-2-[[(2S)-2-[(3-aminophenyl)methoxycarbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-2-methyl-3-oxo-propyl]phenyl]phosphonic acid CAS Name: [4-[(2R)-2-[[(2S)-2-[[(3-aminophenyl)methoxy-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-3-[[(2R)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-2-methyl-3-oxopropyl]phenyl]phosphonic acid IUPAC Name: [4-[(2R)-2-[[(2S)-2-[(3-aminophenyl)methoxycarbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-[[(2R)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-2-methyl-3-oxopropyl]phenyl]phosphonic acid Traditional Name: [4-[(2R)-2-[[(2S)-2-[(3-aminobenzyl)oxycarbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-[[(1R)-3-amino-1-carbamoyl-3-keto-propyl]amino]-3-keto-2-methyl-propyl]phenyl]phosphonic acid Formula: C31H38N6O13P2 MolecularWeight: 764.613342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)P(=O)(O)O)(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

C[C@@](CC1=CC=C(C=C1)P(=O)(O)O)(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/C31H38N6O13P2/c1-31(29(41)35-24(27(34)39)15-26(33)38,16-19-7-11-23(12-8-19)51(43,44)45)37-28(40)25(14-18-5-9-22(10-6-18)50-52(46,47)48)36-30(42)49-17-20-3-2-4-21(32)13-20/h2-13,24-25H,14-17,32H2,1H3,(H2,33,38)(H2,34,39)(H,35,41)(H,36,42)(H,37,40)(H2,43,44,45)(H2,46,47,48)/t24-,25+,31-/m1/s1