3-azanyl-4-[4-(5-azanyl-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)-5-(2-azanyl-3-methyl-pentanoyl)-6-(methylamino)-2H-pyran-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[4-(5-azanyl-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)-5-(2-azanyl-3-methyl-pentanoyl)-6-(methylamino)-2H-pyran-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[4-(5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoyl)-5-(2-amino-3-methyl-pentanoyl)-6-(methylamino)-2H-pyran-3-yl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[4-(5-amino-4-hydroxy-7-methyl-1-oxo-2-propan-2-yloctyl)-5-(2-amino-3-methyl-1-oxopentyl)-6-(methylamino)-2H-pyran-3-yl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[4-(5-amino-4-hydroxy-7-methyl-2-propan-2-yloctanoyl)-5-(2-amino-3-methylpentanoyl)-6-(methylamino)-2H-pyran-3-yl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[4-(5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoyl)-5-(2-amino-3-methyl-pentanoyl)-6-(methylamino)-2H-pyran-3-yl]-4-keto-butyric acid Formula: C28H48N4O7 MolecularWeight: 552.70332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1=C(OCC(=C1C(=O)C(CC(C(CC(C)C)N)O)C(C)C)C(=O)C(CC(=O)O)N)NC)N

Isomeric SMILES

CCC(C)C(C(=O)C1=C(OCC(=C1C(=O)C(CC(C(CC(C)C)N)O)C(C)C)C(=O)C(CC(=O)O)N)NC)N

InChI

InChI=1S/C28H48N4O7/c1-8-15(6)24(31)27(38)23-22(17(12-39-28(23)32-7)25(36)19(30)11-21(34)35)26(37)16(14(4)5)10-20(33)18(29)9-13(2)3/h13-16,18-20,24,32-33H,8-12,29-31H2,1-7H3,(H,34,35)