(2S)-2-[[(2S)-2-Acetamido-5-(Diaminomethylideneamino)Pentanoyl]Amino]-N-[(2R)-1-[[(2S)-1-[[(2S)-2,4-Diamino-4-Oxobutanoyl]-Methylamino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Sulfanylpropan-2-Yl]Butanediamide
[CAS# 126355-75-7]

Identification

• Name: (2S)-2-[[(2S)-2-Acetamido-5-(Diaminomethylideneamino)Pentanoyl]Amino]-N-[(2R)-1-[[(2S)-1-[[(2S)-2,4-Diamino-4-Oxobutanoyl]-Methylamino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Sulfanylpropan-2-Yl]Butanediamide
• Synonyms: (2S)-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-N-[(1R)-2-[[(1S)-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]-Methyl-Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Butanediamide; (2S)-2-[[(2S)-2-Acetamido-5-Guanidino-1-Oxopentyl]Amino]-N-[(1R)-2-[[(1S)-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]-Methylamino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Mercaptomethyl)-2-Oxoethyl]Butanediamide; (2S)-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-N-[(1R)-2-[[(1S)-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]-Methyl-Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-(Mercaptomethyl)Ethyl]Succinamide
• Molecular Formula: C₂₉H₄₅N₁₁O₉S
• Molecular Weight: 723.80
• CAS Registry Number: 126355-75-7
• SMILES: [C@H](NC(=O)C)(CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N(C(=O)[C@@H](N)CC(=O)N)C)CS)CC(=O)N
• InChI: 1S/C29H45N11O9S/c1-14(41)36-18(4-3-9-35-29(33)34)24(45)37-19(12-23(32)44)25(46)39-21(13-50)26(47)38-20(10-15-5-7-16(42)8-6-15)28(49)40(2)27(48)17(30)11-22(31)43/h5-8,17-21,42,50H,3-4,9-13,30H2,1-2H3,(H2,31,43)(H2,32,44)(H,36,41)(H,37,45)(H,38,47)(H,39,46)(H4,33,34,35)/t17-,18-,19-,20-,21-/m0/s1
• InChIKey: DRCKSUGTARVWBX-SXYSDOLCSA-N

Properties

• Density: 1.539g/cm³ (Cal.)