CAS No.67338-70-9,PYR-GLN-ARG-TYR-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67338-70-9
Name:	PYR-GLN-ARG-TYR-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2

Formula:	C₇₄H₁₀₈N₂₄O₁₉S
Molecular Weight:	1669.86372
Synonyms:	4-Tyrosine-bombesin;
Solubility:	Soluble in water at 1mg/ml
PSA:	731.66000
LogP:	2.50100

Total:18 Page 1 of 1 1

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Specification

The Bombesin,4-L-tyrosine-, with the CAS registry number 67338-70-9, is also known as 4-Tyr-bombesin. It belongs to the product category of Peptide. This chemical's molecular formula is C₇₄H₁₀₈N₂₄O₁₉S and molecular weight is 1669.86.

Physical properties of Bombesin,4-L-tyrosine-: (1)XLogP3-AA -4.5; (2)H-Bond Donor: 24; (3)H-Bond Acceptor: 23; (4)Rotatable Bond Count: 52; (5)Tautomer Count: 1000; (6)Exact Mass: 1668.794328; (7)MonoIsotopic Mass: 1668.794328; (8)Topological Polar Surface Area: 732; (9)Heavy Atom Count: 118; (10)Formal Charge: 0; (11)Complexity: 3540; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 10; (14)Undefined Atom StereoCenter Count: 3; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5
(2)Isomeric SMILES: CCC(C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C(C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(=O)N)NC(=O)C5CCC(=O)N5
(3)InChI: InChI=1S/C74H108N24O19S/c1-7-37(4)61(73(117)91-45(62(78)106)24-26-118-6)98-71(115)52(29-41-32-81-35-86-41)89-59(105)34-85-72(116)60(36(2)3)97-63(107)38(5)87-69(113)51(28-40-31-83-44-12-9-8-11-43(40)44)96-68(112)49(19-22-55(76)101)94-70(114)53(30-56(77)102)90-58(104)33-84-64(108)50(27-39-14-16-42(99)17-15-39)95-65(109)46(13-10-25-82-74(79)80)92-67(111)48(18-21-54(75)100)93-66(110)47-20-23-57(103)88-47/h8-9,11-12,14-17,31-32,35-38,45-53,60-61,83,99H,7,10,13,18-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,116)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,117)(H,92,111)(H,93,110)(H,94,114)(H,95,109)(H,96,112)(H,97,107)(H,98,115(H4,79,80,82)/t37?,38?,45-,46-,47?,48+,49-,50-,51-,52-,53-,60-,61-/m0/s1
(4)InChIKey: INDKYGYVKJQGBR-MMJACTKGSA-N