1-Methyl 1-(S)-2-methyl-1-[N-(S)-1-{[(1S,2R)-2-methoxy-4-[(S)-2-[(1R,2R)-1-methoxy-2-[N-(1R,2S)-2-hydroxy-1-methyl-2-phenylethylcarbamoyl]propyl]-1-pyrrolidinyl]-1-[(S)-1-methylpropyl]-4-oxobutyl]-N-methylcarbamoyl}-2-methylpropylcarbamoyl]propyl {p-[(S)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H89N9O14
Molecular Weight	1160.4006
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Methyl 1-(S)-2-methyl-1-[N-(S)-1-{[(1S,2R)-2-methoxy-4-[(S)-2-[(1R,2R)-1-methoxy-2-[N-(1R,2S)-2-hydroxy-1-methyl-2-phenylethylcarbamoyl]propyl]-1-pyrrolidinyl]-1-[(S)-1-methylpropyl]-4-oxobutyl]-N-methylcarbamoyl}-2-methylpropylcarbamoyl]propyl {p-[(S)

Structure Search

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN4C(=O)C=CC4=O)C=C3)C(C)C

InChI

InChIKey=GBLAFADRXFAVBG-KUVRQIMGSA-N

InChI=1S/C60H89N9O14/c1-15-36(6)52(45(81-13)32-49(73)68-30-19-22-44(68)54(82-14)37(7)55(75)62-38(8)53(74)42-20-17-16-18-21-42)66(11)59(79)50(34(2)3)65-58(78)51(35(4)5)67(12)60(80)83-33-41-23-25-43(26-24-41)64-57(77)40(10)63-56(76)39(9)61-46(70)29-31-69-47(71)27-28-48(69)72/h16-18,20-21,23-28,34-40,44-45,50-54,74H,15,19,22,29-33H2,1-14H3,(H,61,70)(H,62,75)(H,63,76)(H,64,77)(H,65,78)/t36-,37+,38+,39-,40-,44-,45+,50-,51-,52-,53+,54+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C60H89N9O14
Molecular Weight	1160.4006
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:08:44 GMT 2025` Edited by `admin` on `Wed Apr 02 21:08:44 GMT 2025`
Record UNII	3K2N77GDL4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Methyl 1-(S)-2-methyl-1-[N-(S)-1-{[(1S,2R)-2-methoxy-4-[(S)-2-[(1R,2R)-1-methoxy-2-[N-(1R,2S)-2-hydroxy-1-methyl-2-phenylethylcarbamoyl]propyl]-1-pyrrolidinyl]-1-[(S)-1-methylpropyl]-4-oxobutyl]-N-methylcarbamoyl}-2-methylpropylcarbamoyl]propyl {p-[(S)

Systematic Name

English

1-Methyl 1-(1S)-2-methyl-1-[N-(1S)-2-methyl-1-{N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-[N-(1R,2S)-2-hydroxy-1-methyl-2-phenylethylcarbamoyl]propyl]pyrrolidin-1-yl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methylcarbamoyl}propylcarbamoyl]propyl {

Preferred Name

English

Code System Code Type Description

PUBCHEM

172481648

Created by admin on Wed Apr 02 21:08:44 GMT 2025 , Edited by admin on Wed Apr 02 21:08:44 GMT 2025

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CAS

3046257-38-6

Created by admin on Wed Apr 02 21:08:44 GMT 2025 , Edited by admin on Wed Apr 02 21:08:44 GMT 2025

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FDA UNII

3K2N77GDL4

Created by admin on Wed Apr 02 21:08:44 GMT 2025 , Edited by admin on Wed Apr 02 21:08:44 GMT 2025

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