Neomyosuppressin
[CAS# 143458-86-0]

Identification

• Name: Neomyosuppressin
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-[[(1S)-2-[[(1S)-1-[[(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]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-[[(1S)-2-[[(1S)-1-[[[(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]-Oxomethyl]-2-Methylpropyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-[[(1S)-1-[[(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]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₈H₈₆N₁₆O₁₅
• Molecular Weight: 1247.42
• CAS Registry Number: 143458-86-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CC(O)=O)C(C)C)CC(O)=O)CC1N=CN=C1)C(C)C)CC2=CC=CC=C2)(CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
• InChI: 1S/C58H86N16O15/c1-29(2)21-38(50(82)66-36(19-14-20-64-58(61)62)49(81)67-37(48(60)80)22-33-15-10-8-11-16-33)68-51(83)39(23-34-17-12-9-13-18-34)71-56(88)46(30(3)4)73-53(85)40(24-35-27-63-28-65-35)69-52(84)41(25-43(76)77)72-57(89)47(31(5)6)74-54(86)42(26-44(78)79)70-55(87)45(59)32(7)75/h8-13,15-18,27-32,35-42,45-47,75H,14,19-26,59H2,1-7H3,(H2,60,80)(H,66,82)(H,67,81)(H,68,83)(H,69,84)(H,70,87)(H,71,88)(H,72,89)(H,73,85)(H,74,86)(H,76,77)(H,78,79)(H4,61,62,64)/t32-,35?,36+,37+,38+,39+,40+,41+,42+,45+,46+,47+/m1/s1
• InChIKey: NCIJIHOWBUDKGT-DEKUHJIYSA-N

Properties

• Density: 1.431g/cm³ (Cal.)