(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-3-methylpentanamide
AlkaPlorer ID: AK577811
Synonym: None
IUPAC Name: N-[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: CCC(C)C(N=C(O)C1CCCN1C(=O)C(N=C(O)C(N)CC1=CC=CC=C1)C(C)C)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=NC(CCSC)C(=N)O
InChI: InChI=1S/C39H57N7O7S/c1-6-24(4)33(38(52)43-30(22-26-14-16-27(47)17-15-26)36(50)42-29(34(41)48)18-20-54-5)45-37(51)31-13-10-19-46(31)39(53)32(23(2)3)44-35(49)28(40)21-25-11-8-7-9-12-25/h7-9,11-12,14-17,23-24,28-33,47H,6,10,13,18-22,40H2,1-5H3,(H2,41,48)(H,42,50)(H,43,52)(H,44,49)(H,45,51)
InChIKey: YBRZZPQHPRPVSN-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 767.9940000000001
TPSA？: 241.0
MolLogP？: 5.7865700000000055
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
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