ADTNAPICLCDEPGVLGR

CAS No.
CCD No.
CCD04011512
Formula
C76 H126 N22 O27 S2
MolWeight
1844.09

Basic Information

Product Name: ADTNAPICLCDEPGVLGR
English Synonyms: PEPTIDE C ; COAGULIN CHAIN B ; COAGULIN CHAIN A ; ADTNAPICLCDEPGVLGR
MDL Number.: MFCD18251868
H bond acceptor: 49
H bond donor: 25
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N
InChi: InChI=1S/C76H126N22O27S2/c1-12-36(8)58(95-69(118)50-18-15-22-97(50)73(122)38(10)84-62(111)44(26-51(78)100)91-72(121)59(39(11)99)96-65(114)46(28-56(107)108)87-60(109)37(9)77)71(120)93-48(32-127)67(116)88-43(25-34(4)5)63(112)92-47(31-126)66(115)89-45(27-55(105)106)64(113)86-40(19-20-54(103)104)74(123)98-23-14-17-49(98)68(117)83-30-53(102)94-57(35(6)7)70(119)90-42(24-33(2)3)61(110)82-29-52(101)85-41(75(124)125)16-13-21-81-76(79)80/h33-50,57-59,99,126-127H,12-32,77H2,1-11H3,(H2,78,100)(H,82,110)(H,83,117)(H,84,111)(H,85,101)(H,86,113)(H,87,109)(H,88,116)(H,89,115)(H,90,119)(H,91,121)(H,92,112)(H,93,120)(H,94,102)(H,95,118)(H,96,114)(H,103,104)(H,105,106)(H,107,108)(H,124,125)(H4,79,80,81)/t36-,37-,38-,39+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-/m0/s1
InChiKey: InChIKey=IAUZMBMIYADZMU-XKSCVWFISA-N

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