5-Oxo-L-prolyl-L-leucyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-seryl-L-leucyl-L-methioninamide
[CAS# 87734-76-7]

Identification

• Name: 5-Oxo-L-prolyl-L-leucyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-seryl-L-leucyl-L-methioninamide
• Synonyms: (Leu(8))phyllolitorin; 8-Leucylphyllolitorin; Pgltavggslm
• Molecular Formula: C₄₆H₇₁N₁₁O₁₁S
• Molecular Weight: 986.19
• CAS Registry Number: 87734-76-7
• SMILES: O=C(N)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(C)C)Cc3c2ccccc2nc3)C)C(C)C)CO)CC(C)C)CCSC
• InChI: 1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
• InChIKey: OXNNISAYYLBJKU-IXSLUFBNSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 1461.053°C at 760 mmHg (Cal.)
• Flash point: 837.414°C (Cal.)