110326-94-8

3-MERCAPTOPROPIONYL-PHE-D-ALA-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR-NH2

3-MERCAPTOPROPIONYL-PHE-D-ALA-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR-NH2

CAS No.: 110326-94-8
CCD No.: CCD00048314
Formula: C102 H157 N33 O29 S2
MolWeight: 2373.7

Basic Information
Product Name：	3-MERCAPTOPROPIONYL-PHE-D-ALA-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR-NH2
CAS：	110326-94-8
English Synonyms：	[DEAMINO-CYS3, D-ALA5]-ATRIOPEPTIN I FRAGMENT 3-24 AMIDE RAT ; 3-MERCAPTOPROPIONYL-PHE-D-ALA-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR-NH2 [DISULFIDE BRIDGE: 3-19] ; 3-MERCAPTOPROPIONYL-PHE-D-ALA-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR-NH2
MDL Number.：	MFCD00076240
H bond acceptor：	62
H bond donor：	37
Smile：	CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSCCC(=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[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)[C@@H](C)CC)CCCNC(=N)N)C)Cc2ccccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N)CC(C)C)CO)CCC(=O)N)C
InChi：	InChI=1S/C102H157N33O29S2/c1-9-52(5)81-98(163)118-44-76(142)119-55(8)85(150)125-63(31-32-73(103)139)89(154)132-70(48-136)87(152)117-46-78(144)123-65(38-51(3)4)86(151)116-47-79(145)124-72(97(162)130-68(42-74(104)140)94(159)133-71(49-137)96(161)129-67(41-57-22-15-12-16-23-57)93(158)126-61(25-18-35-113-101(108)109)88(153)128-64(83(105)148)39-58-27-29-59(138)30-28-58)50-166-165-37-33-75(141)122-66(40-56-20-13-11-14-21-56)92(157)120-54(7)84(149)115-45-77(143)121-60(24-17-34-112-100(106)107)90(155)135-82(53(6)10-2)99(164)131-69(43-80(146)147)95(160)127-62(91(156)134-81)26-19-36-114-102(110)111/h11-16,20-23,27-30,51-55,60-72,81-82,136-138H,9-10,17-19,24-26,31-50H2,1-8H3,(H2,103,139)(H2,104,140)(H2,105,148)(H,115,149)(H,116,151)(H,117,152)(H,118,163)(H,119,142)(H,120,157)(H,121,143)(H,122,141)(H,123,144)(H,124,145)(H,125,150)(H,126,158)(H,127,160)(H,128,153)(H,129,161)(H,130,162)(H,131,164)(H,132,154)(H,133,159)(H,134,156)(H,135,155)(H,146,147)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53-,54+,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,81-,82-/m0/s1
InChiKey：	InChIKey=KOTNGLBJBRUJNY-SFMKBCJBSA-N

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