(3S)-3-{[(3-Methoxyphenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-N5-[(methylsulfanyl)acetyl]-L-ornithinamide

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Systematic / IUPAC Name: (2S,3S)-N-[(2S)-1-Amino-5-[(2-methylsulfanylacetyl)amino]-1-oxopentan-2-yl]-3-[(3-methoxyphenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide

ID: Reference12289

Other Names: L-Ornithinamide, (3S)-3-[[[(3-methoxyphenyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-N5-[2-(methylthio)acetyl]-;
NAT3-177997

Formula: C24H36N6O6S2

Spectral Data

(3S)-3-{[(3-Methoxyphenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-N5-[(methylsulfanyl)acetyl]-L-ornithinamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3067
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:25:06 PM
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Identificators

InChI InChI=1S/C24H36N6O6S2/c1-36-16-7-4-6-15(12-16)27-24(35)29-17-9-11-30(20(32)14-38-3)21(17)23(34)28-18(22(25)33)8-5-10-26-19(31)13-37-2/h4,6-7,12,17-18,21H,5,8-11,13-14H2,1-3H3,(H2,25,33)(H,26,31)(H,28,34)(H2,27,29,35)/t17-,18-,21-/m0/s1
InChI Key BXCQSWNFOSRFJZ-WFXMLNOXSA-N
Canonical SMILES COC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)NC(CCCNC(=O)CSC)C(=O)N)C(=O)CSC
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Other Names L-Ornithinamide, (3S)-3-[[[(3-methoxyphenyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-N5-[2-(methylthio)acetyl]-;
NAT3-177997

In Other Databases

PubChem 11882097
ChemSpider 10056425