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| CAS No.: | 102577-25-3 |
|---|---|
| Name: | 2,7,11-triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(pyrrolidin-2-ylcarbonyl)undecanoic acid |
| Molecular Structure: | |
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| Formula: | C38H63N7O8 |
| Molecular Weight: | 745.94892 |
| Synonyms: | 2,7,11-Triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(pyrrolidin-2-ylcarbonyl)undecanoic acid; 2-pyrrolidinebutanoic acid, alpha-amino-beta-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-alpha-(2-amino-3-methyl-1-oxopentyl)-beta-[4,8-diamino-1-(2-amino-3-methyl-1-oxopentyl)-1-methyl-3-oxooctyl]-gamma-oxo- |
| Density: | 1.219 g/cm3 |
| Boiling Point: | 958.3 °C at 760 mmHg |
| Flash Point: | 533.4 °C |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
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- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:4 Page 1 of 1 1
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Specification
The Neuromedin N, with the CAS registry number 102577-25-3, is also known as Lysyl-isoleucyl-prolyl-tyrosyl-isoleucyl-leucine. This chemical's molecular formula is C38H63N7O8 and molecular weight is 745.949. Its IUPAC name is called (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid. Neuromedin N is a neuropeptide derived from the same precursor polypeptide as neurotensin, and with similar but subtly distinct expression and effects.
Physical properties of Neuromedin N: (1)ACD/LogP: 14.48; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 7.51; (4)ACD/LogD (pH 7.4): 10.41; (5)ACD/BCF (pH 5.5): 6423.05; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 193.79; (8)ACD/KOC (pH 7.4): 154006.34; (9)#H bond acceptors: 15; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 31; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 200.36 cm3; (14)Molar Volume: 611.8 cm3; (15)Surface Tension: 59.7 dyne/cm; (16)Density: 1.219 g/cm3; (17)Flash Point: 533.4 °C; (18)Enthalpy of Vaporization: 146.17 kJ/mol; (19)Boiling Point: 958.3 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C(CCCCN)N
(2)Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)N
(3)InChI: InChI=1S/C38H63N7O8/c1-7-23(5)31(36(50)42-29(38(52)53)20-22(3)4)43-34(48)28(21-25-14-16-26(46)17-15-25)41-35(49)30-13-11-19-45(30)37(51)32(24(6)8-2)44-33(47)27(40)12-9-10-18-39/h14-17,22-24,27-32,46H,7-13,18-21,39-40H2,1-6H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,52,53)/t23-,24-,27-,28-,29-,30-,31-,32-/m0/s1
(4)InChIKey: RZMLVIHXZGQADB-YLUGYNJDSA-N