[4-[(2S)-3-[[(2S)-1-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-[[(2S)-5-azanyl-2-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-3-[[(2S)-1-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-[[(2S)-5-azanyl-2-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-5-amino-5-oxo-pentanoyl]amino]-3-[[(1S)-4-amino-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-4-oxo-butyl]amino]-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2-[[(2S)-2-[[[(2S)-1-acetyl-2-pyrrolidinyl]-oxomethyl]amino]-5-amino-1,5-dioxopentyl]amino]-3-[[(2S)-5-amino-1-[(2R)-2-carbamoyl-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-3-[[(2S)-5-amino-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2-[[(2S)-2-[[(2S)-1-acetylprolyl]amino]-5-amino-5-keto-pentanoyl]amino]-3-[[(1S)-4-amino-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-4-keto-butyl]amino]-3-keto-propyl]phenyl] dihydrogen phosphate Formula: C31H45N8O12P MolecularWeight: 752.709161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)NC(CCC(=O)N)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@@H]3C(=O)N

InChI

InChI=1S/C31H45N8O12P/c1-17(40)38-14-3-5-24(38)30(46)35-20(10-12-25(32)41)28(44)37-22(16-18-6-8-19(9-7-18)51-52(48,49)50)29(45)36-21(11-13-26(33)42)31(47)39-15-2-4-23(39)27(34)43/h6-9,20-24H,2-5,10-16H2,1H3,(H2,32,41)(H2,33,42)(H2,34,43)(H,35,46)(H,36,45)(H,37,44)(H2,48,49,50)/t20-,21-,22-,23+,24-/m0/s1