PT141 ACETATE ,32780-32-8 _Chemical Cloud Database

PT141 ACETATE

Basic Information
Product Name：	PT141 ACETATE
CAS：	32780-32-8
English Synonyms：	PT141 ACETATE ; VALIDAMINE ; AC-NLE-ASP-HIS-D-PHE-ARG-TRP-LYS-OH ; BREMELANOTIDE ACETATE
MDL Number.：	MFCD11977711
H bond acceptor：	25
H bond donor：	15
Smile：	CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)C
InChi：	InChI=1S/C50H70N14O11/c1-3-4-16-35(58-29(2)65)43(68)64-41(25-42(66)67)48(73)63-40(24-32-27-54-28-57-32)47(72)61-38(22-30-13-6-5-7-14-30)45(70)59-36(19-12-21-55-50(52)53)44(69)62-39(23-31-26-56-34-17-9-8-15-33(31)34)46(71)60-37(49(74)75)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,70)(H,60,71)(H,61,72)(H,62,69)(H,63,73)(H,64,68)(H,66,67)(H,74,75)(H4,52,53,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
InChiKey：	InChIKey=ZUYRIZOJCLKNBN-MFVUMRCOSA-N

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