1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-Oxoethyl)-13-Benzyl-16-(4-Hydroxybenzyl)-10-Isobutyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentaazacycloicosan-4-Yl]Carbonyl}-L-Prolyl-L-Lysylglycinamide
[CAS# 42061-33-6]

Identification

• Name: 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-Oxoethyl)-13-Benzyl-16-(4-Hydroxybenzyl)-10-Isobutyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentaazacycloicosan-4-Yl]Carbonyl}-L-Prolyl-L-Lysylglycinamide
• Synonyms: d[Leu4,Lys8]VP; d[Leu4,Lys8]-VP
• Molecular Formula: C₄₇H₆₇N₁₁O₁₁S₂
• Molecular Weight: 1026.23
• CAS Registry Number: 42061-33-6
• SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N
• InChI: 1S/C47H67N11O11S2/c1-27(2)21-32-42(64)56-35(24-38(49)60)45(67)57-36(47(69)58-19-8-12-37(58)46(68)53-31(11-6-7-18-48)41(63)51-25-39(50)61)26-71-70-20-17-40(62)52-33(23-29-13-15-30(59)16-14-29)43(65)55-34(44(66)54-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,59H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,66)(H,55,65)(H,56,64)(H,57,67)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
• InChIKey: QGZMLGLFLYCDQT-PEAOEFARSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1493.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 857.1±34.3°C (Cal.)
• solubility: Soluble to 2 mg/ml in 20% acetonitrile