SCPB

Molecule structure of Small cardioactive peptide B (CAS NO.84746-43-0):

IUPAC Name: (2S)-2-[[(2S)-2-Amino-4-methylsulfanylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]
carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide 
Molecular Weight: 1141.4088 g/mol
Molecular Formula: C₅₂H₈₀N₁₄O₁₁S₂
Density: 1.41 g/cm³
Index of Refraction: 1.656
Molar Refractivity: 296.59 cm³
Molar Volume: 806.8 cm³
Polarizability: 117.58×10^-24 cm³
Surface Tension: 60.4 dyne/cm 
Storage Temp.: −20 °C
XLogP3-AA: -0.4
H-Bond Donor: 13
H-Bond Acceptor: 15
Rotatable Bond Count: 34
Tautomer Count: 1001
Exact Mass: 1140.557241
MonoIsotopic Mass: 1140.557241
Topological Polar Surface Area: 421
Heavy Atom Count: 79
Complexity: 2070
Defined Atom StereoCenter Count: 9
Canonical SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N
Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)
O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)N
InChI: InChI=1S/C52H80N14O11S2/c1-29(2)25-37(63-48(74)38(26-32-15-17-33(67)18-16-32)64-49(75)39(28-42(54)68)62-45(71)34(53)19-23-78-4)47(73)59-30(3)44(70)65-40(27-31-11-7-6-8-12-31)51(77)66-22-10-14-41(66)50(76)61-36(13-9-21-58-52(56)57)46(72)60-35(43(55)69)20-24-79-5/h6-8,11-12,15-18,29-30,34-41,67H,9-10,13-14,19-28,53H2,1-5H3,(H2,54,68)(H2,55,69)(H,59,73)(H,60,72)(H,61,76)(H,62,71)(H,63,74)(H,64,75)(H,65,70)(H4,56,57,58)/t30-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey: IDATZUYVZKJKRE-SXMXEBDWSA-N
Product Categories of Small cardioactive peptide B (CAS NO.84746-43-0): Peptide;Other Peptides;Peptides and Proteins;Peptides for Cell Biology  

WGK Germany: 3

 Small cardioactive peptide B (CAS NO.84746-43-0) is also named as Met-asn-tyr-leu-ala-phe-pro-arg-met-NH2 ; Methionyl-asparaginyl-tyrosyl-leucyl-alanyl-phenylalanyl-prolyl-arginyl-methioninamide ; SCPB ; L-Methioninamide, L-methionyl-L-asparaginyl-L-tyrosyl-L-leucyl-L-alanyl-L-phenylalanyl-L-prolyl-L-arginyl- ; L-Methioninamide, L-methionyl-L-asparginyl-L-tyrosyl-L-leucyl-L-alanyl-L-phenylalanyl-L-prolyl-L-arginyl- .