2-D-serine-5-L-arginine-6-((2S,4E,6E,8S,9S)-9-(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminodecanoic acid)-Cyanoginosin LA
[CAS# 141634-76-6]

Identification

• Name: 2-D-serine-5-L-arginine-6-((2S,4E,6E,8S,9S)-9-(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminodecanoic acid)-Cyanoginosin LA
• Synonyms: (5R,8R,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-Acetoxy-3,5-Dimethyl-7-Phenyl-Hepta-1,3-Dienyl]-15-(3-Guanidinopropyl)-5-(Hydroxymethyl)-8-Isobutyl-1,12,19-Trimethyl-2-Methylene-3,6,9,13,16,20,25-Heptaoxo-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; (5R,8R,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-Acetoxy-3,5-Dimethyl-7-Phenylhepta-1,3-Dienyl]-15-(3-Guanidinopropyl)-5-(Hydroxymethyl)-8-Isobutyl-1,12,19-Trimethyl-2-Methylene-3,6,9,13,16,20,25-Heptaoxo-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; (5R,8R,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-Acetoxy-3,5-Dimethyl-7-Phenyl-Hepta-1,3-Dienyl]-15-(3-Guanidinopropyl)-8-Isobutyl-3,6,9,13,16,20,25-Heptaketo-1,12,19-Trimethyl-2-Methylene-5-Methylol-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
• Molecular Formula: C₅₀H₇₄N₁₀O₁₄
• Molecular Weight: 1039.19
• CAS Registry Number: 141634-76-6
• SMILES: [C@H]1(NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(N(C(=O)CC[C@@H](NC(=O)[C@H]([C@@H](NC1=O)\C=C\C(=C\[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)C)C)C(O)=O)C)=C)CO)CC(C)C)C(O)=O)C)CCCN=C(N)N
• InChI: 1S/C50H74N10O14/c1-26(2)22-37-46(68)59-41(49(72)73)30(6)43(65)55-35(16-13-21-53-50(51)52)45(67)54-34(18-17-27(3)23-28(4)39(74-32(8)62)24-33-14-11-10-12-15-33)29(5)42(64)56-36(48(70)71)19-20-40(63)60(9)31(7)44(66)58-38(25-61)47(69)57-37/h10-12,14-15,17-18,23,26,28-30,34-39,41,61H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,54,67)(H,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,68)(H,70,71)(H,72,73)(H4,51,52,53)/b18-17+,27-23+/t28-,29-,30-,34-,35-,36+,37+,38+,39-,41+/m0/s1
• InChIKey: LIAFLGINUNSQGF-QKKGDWEISA-N

Properties

• Density: 1.337g/cm³ (Cal.)