
 CID 44387433

481483  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44387433

>  <PubChem CID>
44387433

>  <Formula>
C149H245N43O43S

>  <Molecular Weight>
3358.917000

>  <IUPAC Name>


>  <XlogP>
-14.9

>  <Hydrogen Bond Donors>
49

>  <Hydrogen Bond Acceptors>
50

>  <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)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=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)O)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)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=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)O)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/C149H245N43O43S/c1-20-77(13)116(190-121(209)81(17)167-131(219)104(66-113(203)204)177-120(208)79(15)166-122(210)88(152)62-84-39-43-86(197)44-40-84)144(232)184-102(63-83-32-23-22-24-33-83)137(225)192-118(82(18)196)145(233)185-103(65-111(155)201)136(224)188-108(71-195)141(229)181-101(64-85-41-45-87(198)46-42-85)135(223)173-92(37-30-55-163-148(158)159)125(213)172-90(35-26-28-53-151)130(218)189-115(76(11)12)142(230)183-97(58-72(3)4)123(211)165-68-112(202)169-93(47-49-109(153)199)127(215)179-100(61-75(9)10)134(222)187-106(69-193)139(227)168-80(16)119(207)170-91(36-29-54-162-147(156)157)124(212)171-89(34-25-27-52-150)126(214)178-99(60-74(7)8)133(221)180-98(59-73(5)6)132(220)174-94(48-50-110(154)200)128(216)182-105(67-114(205)206)138(226)191-117(78(14)21-2)143(231)175-95(51-57-236-19)129(217)186-107(70-194)140(228)176-96(146(234)235)38-31-56-164-149(160)161/h22-24,32-33,39-46,72-82,88-108,115-118,193-198H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,199)(H2,154,200)(H2,155,201)(H,165,211)(H,166,210)(H,167,219)(H,168,227)(H,169,202)(H,170,207)(H,171,212)(H,172,213)(H,173,223)(H,174,220)(H,175,231)(H,176,228)(H,177,208)(H,178,214)(H,179,215)(H,180,221)(H,181,229)(H,182,216)(H,183,230)(H,184,232)(H,185,233)(H,186,217)(H,187,222)(H,188,224)(H,189,218)(H,190,209)(H,191,226)(H,192,225)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,162)(H4,158,159,163)(H4,160,161,164)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1

>  <InChI Key>
KFGRVLINLVVMJA-MITYVQBRSA-N

