
 CHEMBL1802378

121124  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1802378

>  <PubChem CID>
53363897

>  <Formula>
C45H55N11O10

>  <Molecular Weight>
910.002000

>  <IUPAC Name>
N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)C4=CC=CO4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C45H55N11O10/c46-39(60)32(22-28-12-4-1-5-13-28)54-40(61)31(18-10-20-49-45(47)48)53-42(63)34(24-30-16-8-3-9-17-30)55-43(64)35(27-57)56-41(62)33(23-29-14-6-2-7-15-29)52-38(59)26-50-37(58)25-51-44(65)36-19-11-21-66-36/h1-9,11-17,19,21,31-35,57H,10,18,20,22-27H2,(H2,46,60)(H,50,58)(H,51,65)(H,52,59)(H,53,63)(H,54,61)(H,55,64)(H,56,62)(H4,47,48,49)/t31-,32-,33-,34-,35-/m0/s1

>  <InChI Key>
SGHOQWFLPPQZOT-ZZTWKDBPSA-N

