Marinostatin D
[CAS# 139113-32-9]

Identification

• Name: Marinostatin D
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-(Alanylamino)-3-Hydroxy-Butanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]Succinic Acid
• Molecular Formula: C₄₃H₆₆N₁₂O₁₇S
• Molecular Weight: 1055.12
• CAS Registry Number: 139113-32-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)[C@H](O)C)CCSC)CCCN=C(N)N)CC2=CC=C(O)C=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
• InChI: 1S/C43H66N12O17S/c1-20(44)34(63)54-33(21(2)57)40(69)49-25(12-15-73-3)36(65)48-24(6-4-13-47-43(45)46)35(64)51-27(16-22-8-10-23(58)11-9-22)41(70)55-14-5-7-30(55)39(68)53-29(19-56)38(67)50-26(17-31(59)60)37(66)52-28(42(71)72)18-32(61)62/h8-11,20-21,24-30,33,56-58H,4-7,12-19,44H2,1-3H3,(H,48,65)(H,49,69)(H,50,67)(H,51,64)(H,52,66)(H,53,68)(H,54,63)(H,59,60)(H,61,62)(H,71,72)(H4,45,46,47)/t20-,21+,24-,25-,26-,27-,28-,29-,30-,33-/m0/s1
• InChIKey: WJDXFSGDJCWRCO-IIUYZQMUSA-N

Properties

• Density: 1.578g/cm³ (Cal.)