[N-(3-cholamidopropyl)-N-(3-lactobionamidopropyl)]cholamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H113N3O19
Molecular Weight	1252.6121
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [N-(3-cholamidopropyl)-N-(3-lactobionamidopropyl)]cholamide

Structure Search

SMILES

C[C@H](CCC(=O)NCCCN(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)[C@H]6CC[C@H]7[C@@H]8[C@H](O)C[C@@H]9C[C@H](O)CC[C@]9(C)[C@H]8C[C@H](O)[C@]67C

InChI

InChIKey=UQWAQGDEQSQYLD-ZWPIQKCBSA-N

InChI=1S/C66H113N3O19/c1-33(39-11-13-41-53-43(29-49(77)65(39,41)5)63(3)19-17-37(72)25-35(63)27-45(53)74)9-15-51(79)67-21-7-23-69(24-8-22-68-61(86)58(84)57(83)60(47(76)31-70)88-62-59(85)56(82)55(81)48(32-71)87-62)52(80)16-10-34(2)40-12-14-42-54-44(30-50(78)66(40,42)6)64(4)20-18-38(73)26-36(64)28-46(54)75/h33-50,53-60,62,70-78,81-85H,7-32H2,1-6H3,(H,67,79)(H,68,86)/t33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,53+,54+,55+,56+,57-,58-,59-,60-,62+,63+,64+,65-,66-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

SCH-209702

Preferred Name

English

[N-(3-cholamidopropyl)-N-(3-lactobionamidopropyl)]cholamide

Common Name

English

Cholan-24-amide, N-[3-[(4-O-?-D-galactopyranosyl-D-gluconoyl)amino]propyl]-3,7,12-trihydroxy-N-[3-[[(3?,5?,7?,12?)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]propyl]-, (3?,5?,7?,12?)-

Systematic Name

English

(3?,5?,7?,12?)-N-[3-[(4-O-?-D-Galactopyranosyl-D-gluconoyl)amino]propyl]-3,7,12-trihydroxy-N-[3-[[(3?,5?,7?,12?)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]propyl]cholan-24-amide

Systematic Name

English

SYN3

Common Name

English

Code System Code Type Description

PUBCHEM

166177237