
 CHEMBL1689570

103102  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1689570

>  <PubChem CID>
51349721

>  <Formula>
C30H55N9O9

>  <Molecular Weight>
685.824000

>  <IUPAC Name>
2-[2-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]acetic acid

>  <XlogP>
-0.3

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC(C)C)NC(=O)COCC(=O)O

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)COCC(=O)O

>  <InChI Std. ID>
InChI=1S/C30H55N9O9/c1-7-18(6)25(39-28(46)21(12-17(4)5)37-23(41)14-48-15-24(42)43)29(47)35-13-22(40)36-19(9-8-10-34-30(32)33)27(45)38-20(26(31)44)11-16(2)3/h16-21,25H,7-15H2,1-6H3,(H2,31,44)(H,35,47)(H,36,40)(H,37,41)(H,38,45)(H,39,46)(H,42,43)(H4,32,33,34)/t18-,19-,20-,21-,25-/m0/s1

>  <InChI Key>
DONMXNYWMNBJHL-SQDATOHTSA-N

