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(Tyr⁴) -Bombesin

CAT: 0121-4011655.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4011655.0005Size:5 mg
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CAS Number
67338-70-9
Specifications
H-2165.0005
Sequence
Pyr-Gln-Arg-Tyr-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH₂
Molecular Formula
C₇₄H₁₀₈N₂₄O₁₉S
Molecular Weight
1669.89
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

bombesin, Tyr(4)-
CAS Number67338-70-9
PubChem CID16130995
IUPAC Name(2R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide
Molecular FormulaC74H108N24O19S
Molecular Weight1669.9
XLogP-4.5
Topological Polar Surface Area732
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count22
Rotatable Bond Count52
Heavy Atom Count118
Formal Charge0
Complexity3540
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
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
InChIKey
INDKYGYVKJQGBR-MMJACTKGSA-N
Chemical Structure
2D Structure
2D structure of bombesin, Tyr(4)-
CAS: 67338-70-9
CID: 16130995
Formula: C74H108N24O19S
MW: 1669.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1669.9
XLogP3-4.5
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count22
Rotatable Bond Count52
Exact Mass1668.79432849
Monoisotopic Mass1668.79432849
Topological Polar Surface Area732 Ų
Heavy Atom Count118
Formal Charge0
Complexity3540
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
SP-55150-1[Tyr4] Bombesin [pGlu-Gln-Arg-Tyr-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2; MW: 1669.9]
SP-89336-2[Tyr4]-Bombesin [Pyr-Gln-Arg-Tyr-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met- NH2; MW 1669.9]
SP-89337-5[Tyr4, D-Phe12]-Bombesin [Pyr-Gln-Arg-Tyr-Gly-Asn-Gln-Trp-Ala-Val-Gly-D-Phe-Leu-Met- NH2; MW 1579.95]
SP-100888-1[D-Tyr6, ¿-Ala11, ß-Phe13, Nle14]-Bombesin [Pyr-Gln-Arg-Leu-Gly-D-Tyr-Gln-Trp-Ala-Val-Beta-Ala-His-ß-Phe-Nle-NH2; MW: 1698.98]
B5057-1Bombesin

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