2-[4-[(2S)-3-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]-3-(pentylamino)propyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[(2S)-3-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]-3-(pentylamino)propyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[(2S)-2-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid CAS Name: 2-[4-[(2S)-2-[[[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[(2S)-3-(amylamino)-2-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoylamino]-3-keto-propyl]phenoxy]malonic acid Formula: C27H33N3O9 MolecularWeight: 543.56562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1