4-[2-(2-amino-3-methylpentanamido)-3-(4-hydroxyphenyl)propanamido]-5-(2-{[1-({1-[(1-carbamoylethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-carboxypropyl]carbamoyl}pyrrolidin-1-yl)-5-oxopentanoic acid
AlkaPlorer ID: AK172701
Synonym: None
IUPAC Name: 4-[[1-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Structure
SMILES: CCC(C)C(N)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=NC(CCC(=O)O)C(=O)N1CCCC1C(O)=NC(CCC(=O)O)C(O)=NC(C(O)=NC(C)C(=N)O)C(C)CC
InChI: InChI=1S/C39H60N8O12/c1-6-20(3)31(40)37(57)45-27(19-23-10-12-24(48)13-11-23)35(55)44-26(15-17-30(51)52)39(59)47-18-8-9-28(47)36(56)43-25(14-16-29(49)50)34(54)46-32(21(4)7-2)38(58)42-22(5)33(41)53/h10-13,20-22,25-28,31-32,48H,6-9,14-19,40H2,1-5H3,(H2,41,53)(H,42,58)(H,43,56)(H,44,55)(H,45,57)(H,46,54)(H,49,50)(H,51,52)
InChIKey: VTTWVWCMIXBJDI-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 832.9530000000001
TPSA？: 348.19000000000005
MolLogP？: 4.255470000000007
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 2
Activities Information
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