Cas no 87578-98-1 (Propanamide,2-amino-N-[[(6S,9R,14aS,15R)-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-,(2S)-)
![Propanamide,2-amino-N-[[(6S,9R,14aS,15R)-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-,(2S)- structure](https://ossimg.kuujia.com/scimg/88000/87578-98-1x500.png)
87578-98-1 structure
Product Name:Propanamide,2-amino-N-[[(6S,9R,14aS,15R)-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-,(2S)-
CAS No:87578-98-1
MF:C28H36N4O6
MW:524.608647346497
CID:723881
PubChem ID:119025816
Update Time:2025-04-19
Propanamide,2-amino-N-[[(6S,9R,14aS,15R)-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-,(2S)- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide,2-amino-N-[[(6S,9R,14aS,15R)-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-,(2S)-
- safracin A
- 22W88942A5
- (2S)-2-AMINO-N-(((6S,9R,14AS,15R)-6,7,9,10,13,14,14A,15-OCTAHYDRO-1-HYDROXY-2,11-DIMETHOXY-3,12,16-TRIMETHYL-10,13-DIOXO-6,15-IMINO-5H-ISOQUINO(3,2-B)(3)BENZAZOCIN-9-YL)METHYL)PROPANAMIDE
- AKOS040753899
- 87578-98-1
- PROPANAMIDE, 2-AMINO-N-(((6S,9R,14AS,15R)-6,7,9,10,13,14,14A,15-OCTAHYDRO-1-HYDROXY-2,11-DIMETHOXY-3,12,16-TRIMETHYL-10,13-DIOXO-6,15-IMINO-5H-ISOQUINO(3,2-B)(3)BENZAZOCIN-9-YL)METHYL)-, (2S)-
- Y-16482-B''
- UNII-22W88942A5
- Y-16760
- Q27253678
- Propanamide, 2-amino-N-((6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-
- PROPANAMIDE, 2-AMINO-N-((6,7,9,10,13,14,14A,15-OCTAHYDRO-1-HYDROXY-2,11-DIMETHOXY-3,12,16-TRIMETHYL-10,13-DIOXO-6,15-IMINO-5H-ISOQUINO(3,2-B)(3)BENZAZOCIN-9-YL)METHYL)-, (6S-(6.ALPHA.,9.BETA.(R*),14A.ALPHA.,15.ALPHA.))-
- 2-Amino-N-[(1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]propanimidic acid
- DTXSID201007661
- (2S)-2-Amino-N-[[(1S,2S,10R,13R)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
- CHEBI:220091
-
- Inchi： 1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1
- InChI Key： AZDDAJXLYMVMAW-FKTFMUQYSA-N
- SMILES： OC1=C(C(C)=CC2=C1[C@@H]1[C@@H]3CC4C(C(C)=C(C(C=4[C@H](CNC([C@H](C)N)=O)N3C[C@H](C2)N1C)=O)OC)=O)OC
Computed Properties
- Exact Mass: 524.26348488g/mol
- Monoisotopic Mass: 524.26348488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 38
- Rotatable Bond Count: 5
- Complexity: 1090
- 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: 0.8
- Topological Polar Surface Area: 134?2
Propanamide,2-amino-N-[[(6S,9R,14aS,15R)-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-,(2S)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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