[4-[(2S)-2-acetamido-3-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-1-(methylamino)-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-1-(methylamino)-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2-acetamido-3-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-(methylcarbamoyl)-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[(2S)-2-[[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2-acetamido-3-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-4-keto-1-(methylcarbamoyl)butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-3-keto-propyl]phenyl] dihydrogen phosphate Formula: C28H43N6O10P MolecularWeight: 654.648981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N6O10P/c1-16(2)14-22(28(40)34-13-5-6-23(34)27(39)32-20(25(37)30-4)11-12-24(29)36)33-26(38)21(31-17(3)35)15-18-7-9-19(10-8-18)44-45(41,42)43/h7-10,16,20-23H,5-6,11-15H2,1-4H3,(H2,29,36)(H,30,37)(H,31,35)(H,32,39)(H,33,38)(H2,41,42,43)/t20-,21-,22-,23-/m0/s1