
 CHEMBL8899

114115  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL8899

>  <PubChem CID>
44265536

>  <Formula>
C37H61N7O9

>  <Molecular Weight>
747.935000

>  <IUPAC Name>
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[2-[(2S)-1-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidin-2-yl]-2-oxoethyl]hydrazinyl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NNCC(=O)C2CCCN2C(=O)C(CCCN)NC(=O)OC(C)(C)C

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NNCC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C37H61N7O9/c1-8-23(4)31(33(48)40-28(35(50)51)19-22(2)3)42-32(47)27(20-24-13-15-25(45)16-14-24)43-39-21-30(46)29-12-10-18-44(29)34(49)26(11-9-17-38)41-36(52)53-37(5,6)7/h13-16,22-23,26-29,31,39,43,45H,8-12,17-21,38H2,1-7H3,(H,40,48)(H,41,52)(H,42,47)(H,50,51)/t23-,26-,27-,28-,29-,31-/m0/s1

>  <InChI Key>
SBCOEIFCZFOXSF-PAGGWMLNSA-N

