ABZ-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-3-NITRO-TYR-THR-NH2

CAS No.
852572-93-1
CCD No.
CCD01390230
Formula
C58 H84 N14 O22 S2
MolWeight
1393.51

Basic Information

Product Name: ABZ-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-3-NITRO-TYR-THR-NH2
CAS: 852572-93-1
English Synonyms: ABZ-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-3-NITRO-TYR-THR-NH2
MDL Number.: MFCD11975039
H bond acceptor: 36
H bond donor: 18
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(c(c2)[N+](=O)[O-])O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)c3ccccc3N
InChi: InChI=1S/C58H84N14O22S2/c1-7-27(4)45(69-52(86)35(22-43(79)80)64-50(84)34(21-42(77)78)62-48(82)30-11-8-9-12-31(30)59)57(91)68-44(26(2)3)58(92)71-17-10-13-39(71)56(90)67-38(25-95)55(89)66-36(23-73)53(87)61-32(16-18-96-6)49(83)65-37(24-74)54(88)63-33(51(85)70-46(28(5)75)47(60)81)19-29-14-15-41(76)40(20-29)72(93)94/h8-9,11-12,14-15,20,26-28,32-39,44-46,73-76,95H,7,10,13,16-19,21-25,59H2,1-6H3,(H2,60,81)(H,61,87)(H,62,82)(H,63,88)(H,64,84)(H,65,83)(H,66,89)(H,67,90)(H,68,91)(H,69,86)(H,70,85)(H,77,78)(H,79,80)/t27-,28+,32-,33-,34-,35-,36-,37-,38-,39-,44-,45-,46-/m0/s1
InChiKey: InChIKey=HPEIPHLEVXWIJI-CCSNTKEYSA-N

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