N-Acetylsplenopeptin
[CAS# 120834-20-0]

Identification

• Name: N-Acetylsplenopeptin
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-6-Amino-Hexanoyl]Amino]-5-[[(1S)-1-[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-5-Guanidino-1-Oxopentyl]Amino]-6-Amino-1-Oxohexyl]Amino]-5-[[(1S)-1-[[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-6-Amino-Hexanoyl]Amino]-5-[[(1S)-1-[[(1S)-2-Hydroxy-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₃H₅₃N₉O₁₀
• Molecular Weight: 735.84
• CAS Registry Number: 120834-20-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)C)CCCN=C(N)N)(CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
• InChI: 1S/C33H53N9O10/c1-18(2)27(31(50)41-25(32(51)52)17-20-9-11-21(44)12-10-20)42-30(49)24(13-14-26(45)46)40-29(48)23(7-4-5-15-34)39-28(47)22(38-19(3)43)8-6-16-37-33(35)36/h9-12,18,22-25,27,44H,4-8,13-17,34H2,1-3H3,(H,38,43)(H,39,47)(H,40,48)(H,41,50)(H,42,49)(H,45,46)(H,51,52)(H4,35,36,37)/t22-,23-,24-,25-,27-/m0/s1
• InChIKey: YNSIBIFVJKPWMX-CPHHOOCTSA-N

Properties

• Density: 1.408g/cm³ (Cal.)