(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-carbamoyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]butanoic acid
Molecular Formula:
C51H80N12O14
InChI: InChI=1/C51H80N12O14/c1-10-27(7)40(62-44(69)33(18-20-37(66)67)56-47(72)38(25(3)4)59-49(74)41(28(8)11-2)61-43(68)32(52)17-19-36(53)65)48(73)58-35(22-31-23-54-24-55-31)46(71)63-42(29(9)64)50(75)57-34(21-30-15-13-12-14-16-30)45(70)60-39(26(5)6)51(76)77/h12-16,23-29,32-35,38-42,64H,10-11,17-22,52H2,1-9H3,(H2,53,65)(H,54,55)(H,56,72)(H,57,75)(H,58,73)(H,59,74)(H,60,70)(H,61,68)(H,62,69)(H,63,71)(H,66,67)(H,76,77)/t27-,28-,29+,32-,33-,34-,35-,38-,39-,40-,41-,42-/m0/s1/f/h55-63,66,76H,53H2
InChIKey: InChIKey=NVVYLXTZRKLYEH-ZMTVGVBQDB
SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCC(=O)N)N
Names:
(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-carbamoyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]butanoic acid
Registries:
PubChem CID 9812088
PubChem ID 14768009
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