NEUROTENSIN (HUMAN, BOVINE, CANINE, MOUSE) 2ACOH 6H2O

CAS No.
CCD No.
CCD00996576
Formula
C82H141N21O30
MolWeight
1901.13

Basic Information

Product Name: NEUROTENSIN (HUMAN, BOVINE, CANINE, MOUSE) 2ACOH 6H2O
English Synonyms: NEUROTENSIN (HUMAN, BOVINE, CANINE, MOUSE) 2ACOH 6H2O ; PYR-LEU-TYR-GLU-ASN-LYS-PRO-ARG-ARG-PRO-TYR-ILE-LEU 2ACOH 6H2O
MDL Number.: MFCD11040548
H bond acceptor: 41
H bond donor: 23
Smile: O.O.O.O.O.O.CC(O)=O.CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
InChi: InChI=1S/C78H121N21O20.2C2H4O2.6H2O/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49;2*1-2(3)4;;;;;;/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86);2*1H3,(H,3,4);6*1H2/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-;;;;;;;;/m0......../s1
InChiKey: InChIKey=VBWWHYVHHWCKJX-CEQVEQLMSA-N

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