
 BDBM50363983

295303  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50363983

>  <PubChem CID>
91930563

>  <Formula>
C103H142N26O24

>  <Molecular Weight>
2128.427000

>  <IUPAC Name>


>  <XlogP>
-8.0

>  <Hydrogen Bond Donors>
23

>  <Hydrogen Bond Acceptors>
30

>  <Canonical SMILES>
CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCN=C(N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O

>  <Isomeric SMILES>
CN1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCN=C(N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C103H142N26O24/c1-124-81(98(150)120-75(18-10-38-111-102(104)105)96(148)122-77(52-66-23-29-68-14-5-7-16-70(68)48-66)94(146)115-58-88(137)118-79(100(124)152)50-64-25-31-73(130)32-26-64)20-12-36-108-86(135)56-113-84(133)54-72(117-83(132)22-4-3-9-35-110-90(139)60-126-40-42-127(61-91(140)141)44-46-129(63-93(144)145)47-45-128(43-41-126)62-92(142)143)55-85(134)114-57-87(136)109-37-13-21-82-99(151)121-76(19-11-39-112-103(106)107)97(149)123-78(53-67-24-30-69-15-6-8-17-71(69)49-67)95(147)116-59-89(138)119-80(101(153)125(82)2)51-65-27-33-74(131)34-28-65/h5-8,14-17,23-34,48-49,72,75-82,130-131H,3-4,9-13,18-22,35-47,50-63H2,1-2H3,(H,108,135)(H,109,136)(H,110,139)(H,113,133)(H,114,134)(H,115,146)(H,116,147)(H,117,132)(H,118,137)(H,119,138)(H,120,150)(H,121,151)(H,122,148)(H,123,149)(H,140,141)(H,142,143)(H,144,145)(H4,104,105,111)(H4,106,107,112)/t75-,76-,77-,78-,79+,80+,81+,82+/m0/s1

>  <InChI Key>
CZZNOVXIVNEEKN-ZJMCIECFSA-N

