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Kinetensin

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Name

Kinetensin

EINECS
CAS No. 103131-69-7 Density 1.41 g/cm3
Solubility Melting Point
Formula C56H85N17O11 Boiling Point
Molecular Weight 1172.3814 Flash Point
Transport Information Appearance
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 103131-69-7 (Kinetensin) Hazard Symbols
Synonyms

29: PN: US6610497SEQID: 23 unclaimed sequence;353: PN: US20090175821 SEQID: 434 claimedprotein;1: PN: WO0239997 SEQID: 1 unclaimedsequence;102: PN:US20030119021 SEQID: 88 unclaimed sequence;253: PN: WO0069900 SEQID: 434 unclaimed sequence;Human kinetensin;L-Leucine,N-[N-[N-[1-[N-[N2-[N2-(N-L-isoleucyl-L-alanyl)-L-arginyl]-L-arginyl]-L-histidyl]-L-prolyl]-L-tyrosyl]-L-phenylalanyl]-;

 

Kinetensin Specification

The Kinetensin is an organic compound with the formula C56H85N17O11. The IUPAC name of this chemical is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid. With the CAS registry number 103131-69-7, it is also named as Ile-ala-arg-arg-his-pro-tyr-phe-leu. The product's categories are Peptide; Neuropeptides; Neurotensins; Peptides for Cell Biology; Neuromedins and Related.

Physical properties about Kinetensin are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 28; (4)#H bond donors: 20; (5)#Freely Rotating Bonds: 36; (6)Polar Surface Area: 256.75 Å2; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 306.02 cm3; (9)Molar Volume: 827.2 cm3; (10)Polarizability: 121.31×10-24cm3; (11)Surface Tension: 60.7 dyne/cm; (12)Density: 1.41 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)C)CCC/N=C(\N)N)CCC/N=C(\N)N)Cc1cncn1)CCC2)Cc3ccc(O)cc3)Cc4ccccc4)CC(C )C
(2)InChI: InChI=1/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
(3)InChIKey: PANUJGMSOSQAAY-IHXGQVBNBA
(4)Std. InChI: InChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
(5)Std. InChIKey: PANUJGMSOSQAAY-IHXGQVBNSA-N

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