L-377202
5-[(2S,4R)-2-[[(2S)-1-[[(2S)-1-[[(1S)-2-[[(2S)-5-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid
Molecular Identity
L-377202
5-[(2S,4R)-2-[[(2S)-1-[[(2S)-1-[[(1S)-2-[[(2S)-5-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid
PubChem CID: 9855284
2D Structure
Properties
C65H89N9O25
Molecular Formula
1396.40
Molecular Weight
g/mol
1395.5970
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
545
TPSA
May have limited oral absorption
17
H-Bond Donors
25
H-Bond Acceptors
2950
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C6CCCCC6)NC(=O)C(CO)NC(=O)C(C)NC(=O)C7CC(CN7C(=O)CCCC(=O)O)O)OIsomeric SMILES
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C6CCCCC6)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]7C[C@H](CN7C(=O)CCCC(=O)O)O)OSynonyms(17)
207395-85-5VDXVABRQTVL-377202L 377202L-377202-000HL-377,2025,12-Naphthacenedione, 10-((3-(((4R)-1-(4-carboxy-1-oxobutyl)-4-hydroxy-L-prolyl-L-alanyl-L-seryl-(2S)-2-cyclohexylglycyl-L-glutaminyl-L-seryl-L-leucyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-RefChem:151750Doxorubicin Prodrug L-377,202UNII-VDXVABRQTVorb1987162CHEMBL3093499SCHEMBL29412206SCHEMBL29412207AKOS040745976
Data from PubChem (NCBI)
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