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Chemical ID: 7353191

CC(C)C(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)C2Cc3ccccc3CN2)c4ccccc4

Chemical ID:

7353191

Name [?]:

3-methyl-2-[[4-phenyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl)-4-piperidyl]carbonylamino]butanoic acid

SMILES [?]:

CC(C)C(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)C2Cc3ccccc3CN2)c4ccccc4

InChi [?]:

InChI=1/C27H33N3O4/c1-18(2)23(25(32)33)29-26(34)27(21-10-4-3-5-11-21)12-14-30(15-13-27)24(31)22-16-19-8-6-7-9-20(19)17-28-22/h3-11,18,22-23,28H,12-17H2,1-2H3,(H,29,34)(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,3,32,31,33,23,24,22,25,30,34,12,16,13,15,20,27,2,21,26,29,19,4,17,5,9,11,28,8,14,18,6,7,10/E:(1,2)(4,5)(10,11)(12,13)(14,15)(32,33)/rA:34cCCCCCOONCOCCCNCCCOCCCCCCCCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s19s27;s11;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₃N₃O₄
All Atoms:	67
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	12.1105
Area:	678.42
Solvation:	-4.84998
Coulombic:	-75.8362

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.97
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value