Ustiloxin A
[CAS# 143557-93-1]

Identification

• Name: Ustiloxin A
• Synonyms: (2S,4S)-2-Amino-5-[(R)-[(2R,3S,6S,9S,10R)-9-(Carboxymethylcarbamoyl)-10-Ethyl-2,13-Dihydroxy-6-Isopropyl-10-Methyl-3-Methylamino-4,7-Dioxo-11-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(16),12,14-Trien-15-Yl]Sulfinyl]-4-Hydroxy-Pentanoic Acid; (2S,4S)-2-Amino-5-[(R)-[(2R,3S,6S,9S,10R)-9-[(Carboxymethylamino)-Oxomethyl]-10-Ethyl-2,13-Dihydroxy-6-Isopropyl-10-Methyl-3-Methylamino-4,7-Dioxo-11-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(16),12,14-Trien-15-Yl]Sulfinyl]-4-Hydroxypentanoic Acid; (2S,4S)-2-Amino-5-[(R)-[(2R,3S,6S,9S,10R)-9-(Carboxymethylcarbamoyl)-10-Ethyl-2,13-Dihydroxy-6-Isopropyl-4,7-Diketo-10-Methyl-3-Methylamino-11-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(16),12,14-Trien-15-Yl]Sulfinyl]-4-Hydroxy-Valeric Acid
• Molecular Formula: C₂₈H₄₃N₅O₁₂S
• Molecular Weight: 673.73
• CAS Registry Number: 143557-93-1
• SMILES: [S@](=O)(C1=CC(=C2O[C@@]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC)[C@H](O)C1=C2)C(C)C)C(=O)NCC(=O)O)(CC)C)O)C[C@@H](O)C[C@H](N)C(=O)O
• InChI: 1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)/t13-,15-,20-,21-,22+,23+,28+,46+/m0/s1
• InChIKey: QRLBQXQEGMBXFM-JHIHKWCFSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 1119.458°C at 760 mmHg (Cal.)
• Flash point: 630.825°C (Cal.)