Molecules/Alpha-casozepine

Alpha-casozepine

(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

C60H94N14O161267.50 g/molCID 10351433

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Molecular Identity

Alpha-casozepine

PubChem CID: 10351433

2D Structure

Properties

C₆₀H₉₄N₁₄O₁₆

Molecular Formula

1267.50

Molecular Weight

g/mol

1266.6972

Exact Mass

-0.8

XLogP

Drug-like (Lipinski: < 5)

510

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2410

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

Synonyms(20)

alpha-Casozepine117592-45-7lactiumI24KIH8EZSZYLKENERefChem:111116UNII-I24KIH8EZSL-TYROSYL-L-LEUCYLGLYCYL-L-TYROSYL-L-LEUCYL-L-ALPHA-GLUTAMYL-L-GLUTAMINYL-L-LEUCYL-L-LEUCYL-L-ARGININE|A-Casozepine.ALPHA.-CASOZEPINEorb1698537SCHEMBL22413050SCHEMBL29370080ALPHA-CASOZEPINE [WHO-DD]HY-P2602

Data from PubChem (NCBI)

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Molecular Structure

Alpha-casozepine

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Source: PubChem

Drug Network

Trials and conditions connected to Alpha-casozepine

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