GLY-ILE-VAL-GLU-GLN-CYS-CYS-THR-SER-ILE-CYS-SER-LEU-TYR-GLN-LEU-GLU-ASN-TYR-CYS-ASN

CAS No.
CCD No.
CCD01268502
Formula
C99 H155 N25 O35 S4
MolWeight
2383.72

Basic Information

Product Name: GLY-ILE-VAL-GLU-GLN-CYS-CYS-THR-SER-ILE-CYS-SER-LEU-TYR-GLN-LEU-GLU-ASN-TYR-CYS-ASN
English Synonyms: GLY-ILE-VAL-GLU-GLN-CYS-CYS-THR-SER-ILE-CYS-SER-LEU-TYR-GLN-LEU-GLU-ASN-TYR-CYS-ASN ; INSULIN A CHAIN, HUMAN
MDL Number.: MFCD11656182
H bond acceptor: 60
H bond donor: 33
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NC(CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN
InChi: InChI=1S/C99H155N25O35S4/c1-12-46(9)77(121-73(134)36-100)97(156)122-76(45(7)8)95(154)108-56(25-29-75(137)138)80(139)105-54(23-27-70(102)131)83(142)117-66(40-161)93(152)119-68(42-163)94(153)124-79(48(11)127)98(157)116-64(38-126)90(149)123-78(47(10)13-2)96(155)120-67(41-162)92(151)115-63(37-125)89(148)110-58(31-44(5)6)85(144)111-59(32-49-14-18-51(128)19-15-49)86(145)106-53(22-26-69(101)130)81(140)109-57(30-43(3)4)84(143)107-55(24-28-74(135)136)82(141)113-61(34-71(103)132)88(147)112-60(33-50-16-20-52(129)21-17-50)87(146)118-65(39-160)91(150)114-62(99(158)159)35-72(104)133/h14-21,43-48,53-68,76-79,125-129,160-163H,12-13,22-42,100H2,1-11H3,(H2,101,130)(H2,102,131)(H2,103,132)(H2,104,133)(H,105,139)(H,106,145)(H,107,143)(H,108,154)(H,109,140)(H,110,148)(H,111,144)(H,112,147)(H,113,141)(H,114,150)(H,115,151)(H,116,157)(H,117,142)(H,118,146)(H,119,152)(H,120,155)(H,121,134)(H,122,156)(H,123,149)(H,124,153)(H,135,136)(H,137,138)(H,158,159)/t46-,47-,48+,53-,54-,55-,56?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-,77-,78-,79-/m0/s1
InChiKey: InChIKey=CVUXWXNKOLULCN-QEYHWOBISA-N

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