2-[[2-[(3-azanyl-5-methyl-2-oxidanyl-hexyl)-phenylmethoxycarbonyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(3-azanyl-5-methyl-2-oxidanyl-hexyl)-phenylmethoxycarbonyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(3-amino-2-hydroxy-5-methyl-hexyl)-benzyloxycarbonyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3-amino-2-hydroxy-5-methylhexyl)-phenylmethoxycarbonylamino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(3-amino-2-hydroxy-5-methylhexyl)-phenylmethoxycarbonylamino]-4-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3-amino-2-hydroxy-5-methyl-hexyl)-carbobenzoxy-amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C26H43N3O6 MolecularWeight: 493.63612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CN(C(CC(C)C)C(=O)NC(C(C)C)C(=O)O)C(=O)OCC1=CC=CC=C1)O)N

Isomeric SMILES

CC(C)CC(C(CN(C(CC(C)C)C(=O)NC(C(C)C)C(=O)O)C(=O)OCC1=CC=CC=C1)O)N

InChI

InChI=1S/C26H43N3O6/c1-16(2)12-20(27)22(30)14-29(26(34)35-15-19-10-8-7-9-11-19)21(13-17(3)4)24(31)28-23(18(5)6)25(32)33/h7-11,16-18,20-23,30H,12-15,27H2,1-6H3,(H,28,31)(H,32,33)