MEI-BIS(PR-VAL-CIT-PABC-PNP)

CAS No.
CCD No.
CCD07369399
Formula
C62 H76 N14 O20
MolWeight
1337.36

Basic Information

Product Name: MEI-BIS(PR-VAL-CIT-PABC-PNP)
English Synonyms: MEI-BIS(PR-VAL-CIT-PABC-PNP)
MDL Number.: MFCD22381200
H bond acceptor: 34
H bond donor: 10
Smile: CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc1ccc(cc1)COC(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)CCN(CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc3ccc(cc3)COC(=O)Oc4ccc(cc4)[N+](=O)[O-])CCN5C(=O)C=CC5=O
InChi: InChI=1S/C62H76N14O20/c1-37(2)53(57(83)69-47(7-5-29-65-59(63)85)55(81)67-41-13-9-39(10-14-41)35-93-61(87)95-45-21-17-43(18-22-45)75(89)90)71-49(77)27-31-73(33-34-74-51(79)25-26-52(74)80)32-28-50(78)72-54(38(3)4)58(84)70-48(8-6-30-66-60(64)86)56(82)68-42-15-11-40(12-16-42)36-94-62(88)96-46-23-19-44(20-24-46)76(91)92/h9-26,37-38,47-48,53-54H,5-8,27-36H2,1-4H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,77)(H,72,78)(H3,63,65,85)(H3,64,66,86)/t47-,48-,53-,54-/m0/s1
InChiKey: InChIKey=ZEULMJWZASTPGE-YIYFCYGCSA-N

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