Molecules/Nbi-6024

Nbi-6024

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-5-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

C66H112N20O211521.70 g/molCID 9812645

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Molecular Identity

Nbi-6024

PubChem CID: 9812645

2D Structure

Properties

C₆₆H₁₁₂N₂₀O₂₁

Molecular Formula

1521.70

Molecular Weight

g/mol

1520.8311

Exact Mass

-5

XLogP

Drug-like (Lipinski: < 5)

659

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3100

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)N

Isomeric SMILES

SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)N

Synonyms(15)

NBI-6024NBI6024OMF3CT7D4L239480-61-6Glycine, L-seryl-L-histidyl-L-leucyl-L-valyl-L-alpha-glutamyl-L-alanyl-L-leucyl-L-alanyl-L-leucyl-L-valyl-L-alanylglycyl-L-alpha-glutamyl-L-arginyl-RefChem:164910UNII-OMF3CT7D4LNBI 602466 unclaimed sequenceorb1943068CHEMBL4297306SCHEMBL29355419DA-65962T81697Q27285735

Data from PubChem (NCBI)

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Molecular Structure

Nbi-6024

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Source: PubChem

Drug Network

Trials and conditions connected to Nbi-6024

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