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L 377202

CAT: 0931-T24294-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T24294-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
207395-85-5
Target
Others
Related Pathways
Others
Bioactivity
L 377202 is a peptide-doxorubicin conjugate activated.
Smiles
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)CCCC(O)=O)C6CCCCC6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |@:77|
Molecular Formula
C65H89N9O25
Molecular Weight
1396.465
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-377202

L-377202 is under investigation in clinical trial NCT00987753 (Study Evaluating the Safety and Tolerability of L-377202).

CAS Number207395-85-5
PubChem CID9855284
IUPAC Name5-[(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 FormulaC65H89N9O25
Molecular Weight1396.4
XLogP-1.1
Topological Polar Surface Area545
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count25
Rotatable Bond Count31
Heavy Atom Count99
Formal Charge0
Complexity2950
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)O
InChI
InChI=1S/C65H89N9O25/c1-28(2)19-37(60(91)69-36-21-47(98-30(4)53(36)84)99-42-23-65(96,43(79)27-77)22-34-49(42)57(88)51-50(55(34)86)54(85)33-13-9-14-41(97-5)48(33)56(51)87)70-61(92)38(25-75)72-59(90)35(17-18-44(66)80)68-64(95)52(31-11-7-6-8-12-31)73-62(93)39(26-76)71-58(89)29(3)67-63(94)40-20-32(78)24-74(40)45(81)15-10-16-46(82)83/h9,13-14,28-32,35-40,42,47,52-53,75-78,84,86,88,96H,6-8,10-12,15-27H2,1-5H3,(H2,66,80)(H,67,94)(H,68,95)(H,69,91)(H,70,92)(H,71,89)(H,72,90)(H,73,93)(H,82,83)/t29-,30-,32+,35-,36-,37-,38-,39-,40-,42-,47-,52-,53+,65-/m0/s1
InChIKey
CZXGBIFEWYVYJY-NPLULESDSA-N
Chemical Structure
2D Structure
2D structure of L-377202
CAS: 207395-85-5
CID: 9855284
Formula: C65H89N9O25
MW: 1396.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1396.4
XLogP3-1.1
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count25
Rotatable Bond Count31
Exact Mass1395.59695936
Monoisotopic Mass1395.59695936
Topological Polar Surface Area545 Ų
Heavy Atom Count99
Formal Charge0
Complexity2950
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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