3-[[5-[[2-[2,5-bis(azanyl)pentanoylamino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[5-[[2-[2,5-bis(azanyl)pentanoylamino]-4-methyl-pentanoyl]amino]-2,3,4,6-tetrakis(oxidanyl)hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[5-[[2-(2,5-diaminopentanoylamino)-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[5-[[2-[(2,5-diamino-1-oxopentyl)amino]-4-methyl-1-oxopentyl]amino]-2,3,4,6-tetrahydroxy-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[5-[[2-(2,5-diaminopentanoylamino)-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[5-[[2-(2,5-diaminopentanoylamino)-4-methyl-pentanoyl]amino]-2,3,4,6-tetrahydroxy-hexanoyl]amino]-3-phenyl-propionic acid Formula: C26H43N5O9 MolecularWeight: 569.64772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)C(CCCN)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(C(C(C(=O)NC(CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)C(CCCN)N

InChI

InChI=1S/C26H43N5O9/c1-14(2)11-18(30-24(38)16(28)9-6-10-27)25(39)31-19(13-32)21(35)22(36)23(37)26(40)29-17(12-20(33)34)15-7-4-3-5-8-15/h3-5,7-8,14,16-19,21-23,32,35-37H,6,9-13,27-28H2,1-2H3,(H,29,40)(H,30,38)(H,31,39)(H,33,34)