[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2R)-1-[(2-azanyl-2-oxidanylidene-ethyl)-butyl-amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2R)-1-[(2-azanyl-2-oxidanylidene-ethyl)-butyl-amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2-acetamido-3-[[(1S)-1-[[(1R)-2-[(2-amino-2-oxo-ethyl)-butyl-amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2R)-1-[(2-amino-2-oxoethyl)-butylamino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2R)-1-[(2-amino-2-oxoethyl)-butylamino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2-acetamido-3-[[(1S)-1-[[(1R)-2-[(2-amino-2-keto-ethyl)-butyl-amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]amino]-3-keto-propyl]phenyl] dihydrogen phosphate Formula: C25H40N5O9P MolecularWeight: 585.586961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H40N5O9P/c1-6-7-12-30(14-21(26)32)25(35)16(4)27-24(34)22(15(2)3)29-23(33)20(28-17(5)31)13-18-8-10-19(11-9-18)39-40(36,37)38/h8-11,15-16,20,22H,6-7,12-14H2,1-5H3,(H2,26,32)(H,27,34)(H,28,31)(H,29,33)(H2,36,37,38)/t16-,20+,22+/m1/s1