N-beta-Acetylstreptothricin D
[CAS# 89020-28-0]

Identification

• Name: N-beta-Acetylstreptothricin D
• Synonyms: 4H-Imidazo(4,5-c)pyridin-4-one, 2-( (2-((3-(acetylamino)-6-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*(R*))),3aα,7α,7aβ))-; 4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-((3-(acetylamino)-6-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-4-O-(aminocarbonyl)-2-deoxy-β-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*(R*))),3aα,7α,7aβ))-
• Molecular Formula: C₃₃H₆₀N₁₂O₁₁
• Molecular Weight: 800.90
• CAS Registry Number: 89020-28-0
• SMILES: CC(=O)N[C@@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1NC2=N[C@H]3[C@H](N2)[C@@H](CNC3=O)O)CO)OC(=O)N)O
• InChI: 1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,31+/m0/s1
• InChIKey: WPMGFKKSCCXUAK-YFZUDYRPSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)