(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-carbamoyl-propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid
Molecular Formula:
C58H92N20O15
InChI: InChI=1/C58H92N20O15/c1-7-29(3)44(53(88)74-45(57(92)93)30(4)8-2)73-43(81)26-66-49(84)36(13-9-17-65-58(61)62)70-47(82)31(5)69-50(85)39-14-12-20-78(39)56(91)46(32(6)79)75-52(87)41-16-11-19-77(41)55(90)38(22-34-25-64-28-68-34)72-51(86)40-15-10-18-76(40)54(89)37(21-33-24-63-27-67-33)71-48(83)35(59)23-42(60)80/h24-25,27-32,35-41,44-46,79H,7-23,26,59H2,1-6H3,(H2,60,80)(H,63,67)(H,64,68)(H,66,84)(H,69,85)(H,70,82)(H,71,83)(H,72,86)(H,73,81)(H,74,88)(H,75,87)(H,92,93)(H4,61,62,65)/t29-,30-,31-,32+,35-,36-,37-,38-,39-,40-,41-,44-,45-,46-/m0/s1/f/h66-75,92H,60-62H2
InChIKey: InChIKey=BVCWOHPIHGEIJL-YKVYPLNQDL
SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)NC(=O)C(CC(=O)N)N
Names:
(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-carbamoyl-propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid
Registries:
PubChem CID 10285491
PubChem ID 15290421
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