(4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dihexylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dihexylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dihexylamino)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-(dihexylamino)-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dihexylamino)-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-(dihexylamino)-5-keto-valeric acid Formula: C28H46N3O9P MolecularWeight: 599.653301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C28H46N3O9P/c1-4-6-8-10-18-31(19-11-9-7-5-2)28(36)24(16-17-26(33)34)30-27(35)25(29-21(3)32)20-22-12-14-23(15-13-22)40-41(37,38)39/h12-15,24-25H,4-11,16-20H2,1-3H3,(H,29,32)(H,30,35)(H,33,34)(H2,37,38,39)/t24-,25-/m0/s1