Molecules/Carcinoembryonic Antigen CEA

Carcinoembryonic Antigen CEA

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid

C43H69N11O14964.10 g/molCID 10306739

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Molecular Identity

Carcinoembryonic Antigen CEA

PubChem CID: 10306739

2D Structure

Properties

C₄₃H₆₉N₁₁O₁₄

Molecular Formula

964.10

Molecular Weight

g/mol

963.5025

Exact Mass

-4.3

XLogP

Drug-like (Lipinski: < 5)

423

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1770

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)CC(C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

Synonyms(17)

168635-85-6Carcinoembryonic Antigen CEACarcinoembryonic Antigen (CEA)Carcinoembryonic antigen peptide 1(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acidCEA peptideCARCINOEMBRYONIC ANTIGENorb321475orb1296677C43H69N11O14MFCD06657932TP1286AKOS040763953DA-62064MS-31810

Data from PubChem (NCBI)

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Molecular Structure

Carcinoembryonic Antigen CEA

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Source: PubChem

Drug Network

Trials and conditions connected to Carcinoembryonic Antigen CEA

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