SER-100
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanamide
Molecular Identity
SER-100
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanamide
PubChem CID: 25086585
2D Structure
Properties
C85H141N27O15
Molecular Formula
1781.20
Molecular Weight
g/mol
1780.1100
Exact Mass
Da
-3.8
XLogP
Drug-like (Lipinski: < 5)
759
TPSA
May have limited oral absorption
27
H-Bond Donors
24
H-Bond Acceptors
3380
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(17)
SER-100Ac-RYYRWKKKKKKK-NH2SER100ZP 120ZP-120VJ98TJ922K383123-18-0L-Lysinamide, N2-acetyl-L-arginyl-L-tyrosyl-L-tyrosyl-L-arginyl-L-tryptophyl-L-lysyl-L-lysyl-L-lysyl-L-lysyl-L-lysyl-L-lysyl-Acetyl-Arg-Tyr-Tyr-Arg-Trp-Lys-Lys-Lys-Lys-Lys-Lys-Lys-NH2RefChem:182445UNII-VJ98TJ922KZP120orb1983556CHEMBL4297428SCHEMBL27712482
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to SER-100
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