Molecules/N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

C35H52N6O7668.80 g/molCID 169489554

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Molecular Identity

N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

PubChem CID: 169489554

2D Structure

Properties

C₃₅H₅₂N₆O₇

Molecular Formula

668.80

Molecular Weight

g/mol

668.3897

Exact Mass

3.6

XLogP

Drug-like (Lipinski: < 5)

201

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1000

Complexity

SMILES

Canonical SMILES

SMILES: CC1C(CC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)CCCCCCC2=CC=C(C=C2)NNC3=CC=C(C=C3)C)O)O

Isomeric SMILES

SMILES: C[C@H]1[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCC2=CC=C(C=C2)NNC3=CC=C(C=C3)C)O)O

Synonyms(2)

NCFAKXWAQXEIMI-GCPANNTESA-NVOX

Data from PubChem (NCBI)

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Molecular Structure

N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

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2D molecular structure of N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

Source: PubChem

Drug Network

Trials and conditions connected to N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

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