7-MCA-ARG-PRO-LYS-PRO-VAL-GLU-NVAL-TRP-ARG-LYS(DNP)-NH2

CAS No.
CCD No.
CCD00608467
Formula
C78 H110 N22 O20
MolWeight
1675.86

Basic Information

Product Name: 7-MCA-ARG-PRO-LYS-PRO-VAL-GLU-NVAL-TRP-ARG-LYS(DNP)-NH2
English Synonyms: 7-MCA-RPKPVE-NVAL-WRL(DNP)-NH2 ; 7-MCA-ARG-PRO-LYS-PRO-VAL-GLU-NVAL-TRP-ARG-LYS(DNP)-NH2
MDL Number.: MFCD07780955
H bond acceptor: 42
H bond donor: 18
Smile: CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N(CC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N)C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)Cc6cc(=O)oc7c6ccc(c7)OC
InChi: InChI=1S/C78H110N22O20/c1-43(2)67(95-72(110)60-23-15-35-97(60)75(113)56(19-8-10-30-79)93-71(109)59-22-14-34-96(59)74(112)55(21-13-33-87-78(83)84)89-63(101)37-45-38-66(105)120-62-40-48(119-5)25-26-50(45)62)73(111)94-57(28-29-65(103)104)76(114)98(44(3)4)42-64(102)90-58(36-46-41-88-51-17-7-6-16-49(46)51)70(108)92-54(20-12-32-86-77(81)82)69(107)91-53(68(80)106)18-9-11-31-85-52-27-24-47(99(115)116)39-61(52)100(117)118/h6-7,16-17,24-27,38-41,43-44,53-60,67,85,88H,8-15,18-23,28-37,42,79H2,1-5H3,(H2,80,106)(H,89,101)(H,90,102)(H,91,107)(H,92,108)(H,93,109)(H,94,111)(H,95,110)(H,103,104)(H4,81,82,86)(H4,83,84,87)/t53-,54-,55-,56-,57-,58-,59-,60-,67-/m0/s1
InChiKey: InChIKey=NHVIPHCPJRQKQM-HLHYCTPMSA-N

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