(3S)-3-{2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]acetamido}-3-{[(1S,2S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]
AlkaPlorer ID: AK250480
Synonym: None
IUPAC Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)CN)C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(=N)O
InChI: InChI=1S/C48H86N12O13/c1-13-29(12)41(60-47(72)35(19-40(65)66)57-39(64)23-51-43(68)31(15-25(4)5)55-36(61)20-49)48(73)59-33(17-27(8)9)45(70)53-22-38(63)56-34(18-28(10)11)46(71)58-32(16-26(6)7)44(69)52-21-37(62)54-30(42(50)67)14-24(2)3/h24-35,41H,13-23,49H2,1-12H3,(H2,50,67)(H,51,68)(H,52,69)(H,53,70)(H,54,62)(H,55,61)(H,56,63)(H,57,64)(H,58,71)(H,59,73)(H,60,72)(H,65,66)/t29-,30-,31-,32-,33-,34-,35-,41-/m0/s1
InChIKey: XIULFMYASVFISV-MBEXWJHVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycoleptodonoides aitchisonii | Mycoleptodonoides | None | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1039.2869999999996
TPSA？: 433.3000000000001
MolLogP？: 7.3768700000000145
Number of H-Donors: 14
Number of H-Acceptors: 13
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|