
 CID 44387393

454456  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44387393

>  <PubChem CID>
44387393

>  <Formula>
C143H233N37O40S

>  <Molecular Weight>
3142.716000

>  <IUPAC Name>


>  <XlogP>
-8.6

>  <Hydrogen Bond Donors>
43

>  <Hydrogen Bond Acceptors>
45

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)CCCCCCCCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)CCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

>  <InChI Std. ID>
InChI=1S/C143H233N37O40S/c1-19-77(13)115(178-120(199)80(16)158-128(207)101(66-112(193)194)166-119(198)79(15)157-121(200)87(145)62-83-41-45-85(185)46-42-83)140(219)172-99(63-82-34-26-25-27-35-82)134(213)180-117(81(17)184)141(220)173-100(65-109(148)190)133(212)176-105(71-183)137(216)169-98(64-84-43-47-86(186)48-44-84)132(211)163-90(38-33-56-155-143(152)153)123(202)162-89(36-30-31-54-144)127(206)177-114(76(11)12)138(217)171-94(58-72(3)4)122(201)156-68-111(192)159-91(49-51-107(146)188)124(203)167-97(61-75(9)10)131(210)174-103(69-181)106(187)39-28-23-21-22-24-29-40-110(191)160-95(59-73(5)6)129(208)168-96(60-74(7)8)130(209)164-92(50-52-108(147)189)125(204)170-102(67-113(195)196)135(214)179-116(78(14)20-2)139(218)165-93(53-57-221-18)126(205)175-104(70-182)136(215)161-88(118(149)197)37-32-55-154-142(150)151/h25-27,34-35,41-48,72-81,87-105,114-117,181-186H,19-24,28-33,36-40,49-71,144-145H2,1-18H3,(H2,146,188)(H2,147,189)(H2,148,190)(H2,149,197)(H,156,201)(H,157,200)(H,158,207)(H,159,192)(H,160,191)(H,161,215)(H,162,202)(H,163,211)(H,164,209)(H,165,218)(H,166,198)(H,167,203)(H,168,208)(H,169,216)(H,170,204)(H,171,217)(H,172,219)(H,173,220)(H,174,210)(H,175,205)(H,176,212)(H,177,206)(H,178,199)(H,179,214)(H,180,213)(H,193,194)(H,195,196)(H4,150,151,154)(H4,152,153,155)/t77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,114-,115-,116-,117-/m0/s1

>  <InChI Key>
CMKBZNIDAOEXQZ-OTCBGFOBSA-N

