Cas no 77477-95-3 (N-(D-Lysergyl-L-valyl)-cyclo(L-leucyl-D-prolyl))
77477-95-3 structure
Product Name:N-(D-Lysergyl-L-valyl)-cyclo(L-leucyl-D-prolyl)
CAS No:77477-95-3
MF:C32H41N5O4
MW:559.699047803879
CID:2021744
PubChem ID:102500717
Update Time:2025-04-21
N-(D-Lysergyl-L-valyl)-cyclo(L-leucyl-D-prolyl) Chemical and Physical Properties
Names and Identifiers
-
- N-(D-Lysergyl-L-valyl)-cyclo(L-leucyl-D-prolyl)
- alpha-Ergocryptam
- SJB8E6591T
- Ergocryptam
- UNII-SJB8E6591T
- Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N-((1S)-2-methyl-1-(((3S,8aR)-tetrahydro-3-(2-methylpropyl)-1,4-dioxopyrrolo(1,2-a)pyrazin-2(3H)-yl)carbonyl)propyl)-, (8beta)- 1',12'-secoergotaman-3',6',12',18-tetrone, 2'-deoxy-2'-(1-methylethyl)-5
- 77477-95-3
- ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-6-METHYL-N-((1S)-2-METHYL-1-(((3S,8AR)-TETRAHYDRO-3-(2-METHYLPROPYL)-1,4-DIOXOPYRROLO(1,2-A)PYRAZIN-2(3H)-YL)CARBONYL)PROPYL)-, (8.BETA.)- 1',12'-SECOERGOTAMAN-3',6',12',18-TETRONE, 2'-DEOXY-2'-(1-METHYLETHYL)-5'-(2-METHYLPROPYL)-, (2'S,5'.ALPHA.,11'.ALPHA.)-
- .ALPHA.-ERGOCRYPTAM
- N-(Lysergyl-valyl)-cyclo(leucyl-D-prolyl)
-
- Inchi： 1S/C32H41N5O4/c1-17(2)12-26-30(39)36-11-7-10-24(36)31(40)37(26)32(41)28(18(3)4)34-29(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-25(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,28,33H,7,10-12,14,16H2,1-5H3,(H,34,38)
- InChI Key： IFFQSISDSKIQNF-UHFFFAOYSA-N
- SMILES： CC(CC1C(=O)N2C(CCC2)C(=O)N1C(C(C(C)C)NC(C1C=C2C(CC3C4C(=CC=CC2=4)NC=3)N(C)C1)=O)=O)C
Computed Properties
- Exact Mass: 559.31585481Da
- Monoisotopic Mass: 559.31585481Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 41
- Rotatable Bond Count: 6
- Complexity: 1120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 106?2
N-(D-Lysergyl-L-valyl)-cyclo(L-leucyl-D-prolyl) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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