(2-{(2S,4S)-2-{[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-[(2-thienylsulfonyl)amino]-1-piperidinyl}-2-oxoethoxy)acetic acid

enlarge

Systematic / IUPAC Name: 2-[2-[(2S,4S)-2-[[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]acetic acid

ID: Reference12272

Other Names: NAT7-242312

Formula: C25H29N5O8S2

Spectral Data

(2-{(2S,4S)-2-{[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-[(2-thienylsulfonyl)amino]-1-piperidinyl}-2-oxoethoxy)acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1555
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 4:03:58 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H29N5O8S2/c26-24(34)19(10-15-12-27-18-5-2-1-4-17(15)18)28-25(35)20-11-16(29-40(36,37)23-6-3-9-39-23)7-8-30(20)21(31)13-38-14-22(32)33/h1-6,9,12,16,19-20,27,29H,7-8,10-11,13-14H2,(H2,26,34)(H,28,35)(H,32,33)/t16-,19+,20-/m0/s1
InChI Key PHGPKKKOKTZVBK-DBVUQKKJSA-N
Canonical SMILES C1CN(C(CC1NS(=O)(=O)C2=CC=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)COCC(=O)O
CAS
Splash
Other Names NAT7-242312

In Other Databases

ChemSpider 5477644
PubChem 7134313