CAT No: OPO-017
CAS No: 55750-00-0
Synonyms/Alias: Bombesin nonapeptide;Bombesin 9;55750-00-0;DTXSID10204310;Ranatesin, 1-de(5-oxo-L-proline)-2-de-L-valine-3-L-asparagine-10-L-leucine-;H-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2;SCHEMBL1413933;DTXCID10126801;
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
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M.F/Formula | C47H71N15O11S |
M.W/Mr. | 1054.2 |
Sequence | One Letter Code:NQWAVGHLM Three Letter Code:H-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2 |
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 |
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