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Bombesin nonapeptide

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CAT#	OPO-017
CAS	55750-00-0
Synonyms/Alias	Bombesin 9, Bombesin(6-14), SCHEMBL1413933
Chemical Name	(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-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]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanediamide
M.F/Formula	C47H71N15O11S
M.W/Mr.	1054.2
Sequence	NQWAVGHLM

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InChI	InChI=1S/C47H71N15O11S/c1-23(2)15-33(45(71)58-31(40(51)66)13-14-74-6)60-46(72)35(17-27-20-52-22-55-27)57-38(65)21-54-47(73)39(24(3)4)62-41(67)25(5)56-44(70)34(16-26-19-53-30-10-8-7-9-28(26)30)61-43(69)32(11-12-36(49)63)59-42(68)29(48)18-37(50)64/h7-10,19-20,22-25,29,31-35,39,53H,11-18,21,48H2,1-6H3,(H2,49,63)(H2,50,64)(H2,51,66)(H,52,55)(H,54,73)(H,56,70)(H,57,65)(H,58,71)(H,59,68)(H,60,72)(H,61,69)(H,62,67)/t25-,29-,31-,32-,33-,34-,35-,39-/m0/s1
InChI Key	XXFIWKDBCZWORZ-YQZUKWOLSA-N
Canonical SMILES	CC(C)CC(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)N
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N