small cardioactive peptide B
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
Molecular Identity
small cardioactive peptide B
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
PubChem CID: 123843
2D Structure
Properties
C52H80N14O11S2
Molecular Formula
1141.40
Molecular Weight
g/mol
1140.5572
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
471
TPSA
May have limited oral absorption
13
H-Bond Donors
15
H-Bond Acceptors
2070
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)NIsomeric SMILES
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NSynonyms(20)
84746-43-0SCPBsmall cardioactive peptide BMet-asn-tyr-leu-ala-phe-pro-arg-met-NH2Methionyl-asparaginyl-tyrosyl-leucyl-alanyl-phenylalanyl-prolyl-arginyl-methioninamideL-Methioninamide, L-methionyl-L-asparaginyl-L-tyrosyl-L-leucyl-L-alanyl-L-phenylalanyl-L-prolyl-L-arginyl-RefChem:183398Small Cardioactive Peptide B (SCPB)orb1679491CHEMBL1891530SCHEMBL29395285HY-P1495TP1844NCGC00167203-01(S)-N1-((S)-1-(((S)-1-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-2-((S)-2-amino-4-(methylthio)butanamido)succinamide
Data from PubChem (NCBI)
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