Cas no 73791-38-5 ((2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid;trihydrate)
![(2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid;trihydrate structure](https://ossimg.kuujia.com/scimg/74000/73791-38-5x500.png)
73791-38-5 structure
Product Name:(2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid;trihydrate
CAS No:73791-38-5
MF:C13H26N4O7S
MW:382.433142185211
CID:1764324
PubChem ID:52500
Update Time:2025-04-21
(2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid;trihydrate Chemical and Physical Properties
Names and Identifiers
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- (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic acid,trihydrate
- (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
- trihydrate
- Valeric acid, 2-(p-tolylsulfonamido)-5-guanidino-, trihydrate
- DTXSID20224206
- L-ARGININE, N-alpha-(p-TOLYLSULFONYL)-, TRIHYDRATE
- 73791-38-5
- N-alpha-Tosyl-L-arginine trihydrate
- (2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid;trihydrate
-
- Inchi： 1S/C13H20N4O4S.3H2O/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15;;;/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16);3*1H2/t11-;;;/m0.../s1
- InChI Key： VTHNITWESKGGPD-XVSRHIFFSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N[C@H](C(=O)O)CCC/N=C(\N)/N)(=O)=O.O.O.O
Computed Properties
- Exact Mass: 382.15222035g/mol
- Monoisotopic Mass: 382.15222035g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 489
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 159?2
(2s)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid;trihydrate Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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