Masflrfamide I
[CAS# 129960-91-4]

Identification

• Name: Masflrfamide I
• Synonyms: (3S)-4-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-4-Oxo-3-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Butanoic Acid; (3S)-4-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-4-Oxo-3-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Butanoic Acid; (3S)-4-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-4-Keto-3-(Pyroglutamoylamino)Butyric Acid
• Molecular Formula: C₅₈H₈₄N₁₆O₁₄
• Molecular Weight: 1229.40
• CAS Registry Number: 129960-91-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(O)=O)C(C)C)(C(C)C)C(=O)N[C@@H](CC2N=CN=C2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)CC4=CC=CC=C4)CO
• InChI: 1S/C58H84N16O14/c1-30(2)22-39(51(82)66-36(18-13-21-63-58(60)61)49(80)67-38(48(59)79)23-33-14-9-7-10-15-33)68-52(83)40(24-34-16-11-8-12-17-34)69-55(86)43(28-75)72-53(84)41(25-35-27-62-29-64-35)71-56(87)46(31(3)4)74-57(88)47(32(5)6)73-54(85)42(26-45(77)78)70-50(81)37-19-20-44(76)65-37/h7-12,14-17,27,29-32,35-43,46-47,75H,13,18-26,28H2,1-6H3,(H2,59,79)(H,65,76)(H,66,82)(H,67,80)(H,68,83)(H,69,86)(H,70,81)(H,71,87)(H,72,84)(H,73,85)(H,74,88)(H,77,78)(H4,60,61,63)/t35?,36-,37-,38-,39-,40-,41-,42-,43-,46-,47-/m0/s1
• InChIKey: PAZAMTVGOLQGBM-FRASDIGNSA-N

Properties

• Density: 1.438g/cm³ (Cal.)