CAS No.80887-44-1,NEUROTENSIN (1-8) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80887-44-1
Name:	NEUROTENSIN (1-8)

Formula:	C₄₆H₇₁N₁₃O₁₄
Molecular Weight:	1030.13
Synonyms:	Neurotensin(ox),9-de-L-arginine-10-de-L-proline-11-de-L-tyrosine-12-de-L-isoleucine-13-de-L-leucine-;206: PN: WO0061194 SEQID: 206 claimed sequence;220: PN: EP1170021 SEQID: 222claimed protein;
Density:	1.51 g/cm³
PSA:	449.85000
LogP:	1.57990

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Specification

The 1-8-Neurotensin(cattle), with the CAS registry number 80887-44-1, is also known as 5-Oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-OH. This chemical's molecular formula is C₄₆H₇₁N₁₃O₁₄ and molecular weight is 1030.13. What's more, its IUPAC name is (4S)-5-[[(2S)-4-Amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid.

Physical properties about 1-8-Neurotensin(cattle) are: (1)ACD/LogP: -2.71; (2)# of Rule of 5 Violations 3; (3)#H bond acceptors: 27; (4)#H bond donors: 18; (5)#Freely Rotating Bonds: 33; (6)Polar Surface Area: 266.7 Å²; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 254.51 cm³; (9)Molar Volume: 679.6 cm³; (10)Surface Tension: 67.9 dyne/cm; (11)Density: 1.51 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CCC/N=C(\N)N)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(C)C)Cc2ccc(O)cc2)CCC(=O)O)CC(=O)N)CCCCN)CCC3
(2) InChI: InChI=1/C46H71N13O14/c1-24(2)21-31(56-38(65)27-14-16-36(62)52-27)40(67)57-32(22-25-10-12-26(60)13-11-25)41(68)53-28(15-17-37(63)64)39(66)58-33(23-35(48)61)42(69)54-29(7-3-4-18-47)44(71)59-20-6-9-34(59)43(70)55-30(45(72)73)8-5-19-51-46(49)50/h10-13,24,27-34,60H,3-9,14-23,47H2,1-2H3,(H2,48,61)(H,52,62)(H,53,68)(H,54,69)(H,55,70)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,72,73)(H4,49,50,51)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
(3) InChIKey: ZJPYPJIAUOEHJV-LGYYRGKSBC