[Leu14]bombesin   Click here for help

GtoPdb Ligand ID: 11259

Comment: This is a modified version of endogenous bombesin [1].
HELM annotation is PEPTIDE1{[Glp].Q.R.L.G.N.Q.W.A.V.G.H.L.L.[am]}$$$$.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C
Isomeric SMILES CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C
InChI InChI=1S/C72H112N24O18/c1-34(2)23-47(60(76)103)92-68(111)49(25-36(5)6)94-69(112)51(27-40-30-79-33-84-40)87-58(102)32-83-71(114)59(37(7)8)96-61(104)38(9)85-67(110)50(26-39-29-81-42-14-11-10-13-41(39)42)95-66(109)46(17-20-54(74)98)91-70(113)52(28-55(75)99)88-57(101)31-82-62(105)48(24-35(3)4)93-63(106)43(15-12-22-80-72(77)78)89-65(108)45(16-19-53(73)97)90-64(107)44-18-21-56(100)86-44/h10-11,13-14,29-30,33-38,43-52,59,81H,12,15-28,31-32H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,84)(H,82,105)(H,83,114)(H,85,110)(H,86,100)(H,87,102)(H,88,101)(H,89,108)(H,90,107)(H,91,113)(H,92,111)(H,93,106)(H,94,112)(H,95,109)(H,96,104)(H4,77,78,80)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1
InChI Key SVVDBCGUBZWHSS-FPFNSDSHSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 434321694
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