(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-carboxy-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-carboxy-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Formula:
C64H102N16O22S
InChI: InChI=1/C64H102N16O22S/c1-30(2)25-38(70-46(84)28-67-45(83)27-68-56(93)40-13-9-21-77(40)61(98)37(18-20-47(85)86)72-53(90)36(17-19-44(66)82)71-52(89)35(65)29-103)55(92)74-49(31(3)4)58(95)75-50(32(5)6)63(100)79-23-11-15-42(79)62(99)78-22-10-14-41(78)57(94)76-51(34(8)81)59(96)73-39(26-48(87)88)54(91)69-33(7)60(97)80-24-12-16-43(80)64(101)102/h30-43,49-51,81,103H,9-29,65H2,1-8H3,(H2,66,82)(H,67,83)(H,68,93)(H,69,91)(H,70,84)(H,71,89)(H,72,90)(H,73,96)(H,74,92)(H,75,95)(H,76,94)(H,85,86)(H,87,88)(H,101,102)/t33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-,50-,51-/m0/s1/f/h67-76,85,87,101H,66H2
InChIKey: InChIKey=LTMUSRDWCTXCHG-VGZKZULTDM
SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N3CCCC3C(=O)O)NC(=O)CNC(=O)CNC(=O)C4CCCN4C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CS)N
Names:
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-carboxy-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-carboxy-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Registries:
PubChem CID 10148871
PubChem ID 15139980
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