CAS No.23815-89-6,H-ARG-PRO-PRO-GLY-PHE-OH TRIFLUOROACETATE SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23815-89-6
Name:	H-ARG-PRO-PRO-GLY-PHE-OH TRIFLUOROACETATE SALT
Article Data:	2

Formula:	C₂₇H₄₀N₈O₆
Molecular Weight:	572.665
Synonyms:	Bradykinin (1-5);Alanine,N-[N-[1-(1-L-arginyl-L-prolyl)-L-prolyl]glycyl]-3-phenyl-, L- (8CI);L-Phenylalanine, N-[N-[1-(1-L-arginyl-L-prolyl)-L-prolyl]glycyl]-;39: PN:WO0112656 SEQID: 39 claimed protein;3: PN: WO2005057221 PAGE: 17 unclaimedsequence;4: PN: WO2006130718 SEQID: 4 unclaimed sequence;
Density:	1.46 g/cm³
PSA:	224.04000
LogP:	1.03610

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Specification

The 1-5-Bradykinin (9CI) is an organic compound with the formula C₂₇H₄₀N₈O₆. The IUPAC name of this chemical is 2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid. With the CAS registry number 23815-89-6, it is also named as Arginyl-prolyl-prolyl-glycyl-phenylalanine. The product's category is Peptide.

Physical properties about 1-5-Bradykinin (9CI) are: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.99; (4)ACD/LogD (pH 7.4): -3.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 129.62 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 147.26 cm³; (15)Molar Volume: 390.5 cm³; (16)Polarizability: 58.38×10^-24cm³; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.46 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)[C@H]3N(C(=O)[C@H]2N(C(=O)[C@@H](N)CCC/N=C(\N)N)CCC2)CCC3
(2)InChI: InChI=1/C27H40N8O6/c28-18(9-4-12-31-27(29)30)24(38)35-14-6-11-21(35)25(39)34-13-5-10-20(34)23(37)32-16-22(36)33-19(26(40)41)15-17-7-2-1-3-8-17/h1-3,7-8,18-21H,4-6,9-16,28H2,(H,32,37)(H,33,36)(H,40,41)(H4,29,30,31)/t18-,19-,20-,21-/m0/s1
(3)InChIKey: USSUMSBPLJWFSZ-TUFLPTIABT
(4)Std. InChI: InChI=1S/C27H40N8O6/c28-18(9-4-12-31-27(29)30)24(38)35-14-6-11-21(35)25(39)34-13-5-10-20(34)23(37)32-16-22(36)33-19(26(40)41)15-17-7-2-1-3-8-17/h1-3,7-8,18-21H,4-6,9-16,28H2,(H,32,37)(H,33,36)(H,40,41)(H4,29,30,31)/t18-,19-,20-,21-/m0/s1
(5)Std. InChIKey: USSUMSBPLJWFSZ-TUFLPTIASA-N