4-[4-[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-[[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]amino]-3-oxidanylidene-propyl]phenoxy]sulfonylbenzoic acid

Systemtic Name: 4-[4-[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-[[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]amino]-3-oxidanylidene-propyl]phenoxy]sulfonylbenzoic acid Openeye Name: 4-[4-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-[[(1S)-1-benzyloxycarbonyl-3-methyl-butyl]amino]-3-oxo-propyl]phenoxy]sulfonylbenzoic acid CAS Name: 4-[4-[(2S)-2-[[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 4-[4-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-3-oxopropyl]phenoxy]sulfonylbenzoic acid Traditional Name: 4-[4-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-[[(1S)-1-carbobenzoxy-3-methyl-butyl]amino]-3-keto-propyl]phenoxy]sulfonylbenzoic acid Formula: C34H39N3O11S MolecularWeight: 697.75196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C34H39N3O11S/c1-21(2)18-29(34(44)47-20-23-6-4-3-5-7-23)37-32(41)28(36-31(40)27(35)16-17-30(38)39)19-22-8-12-25(13-9-22)48-49(45,46)26-14-10-24(11-15-26)33(42)43/h3-15,21,27-29H,16-20,35H2,1-2H3,(H,36,40)(H,37,41)(H,38,39)(H,42,43)/t27-,28-,29-/m0/s1