(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-3-carboxy-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]propyl]carbamoyl]butanoic acid

Molecular Formula: C54H88N10O17S


InChI: InChI=1/C54H88N10O17S/c1-27(2)22-37(59-45(71)33(55)26-65)50(76)60-38(23-28(3)4)49(75)57-35(17-19-42(69)70)46(72)56-34(16-18-41(67)68)47(73)58-36(20-21-82-10)48(74)62-40(25-32-14-12-11-13-15-32)51(77)61-39(24-29(5)6)52(78)64-44(31(9)66)53(79)63-43(30(7)8)54(80)81/h11-15,27-31,33-40,43-44,65-66H,16-26,55H2,1-10H3,(H,56,72)(H,57,75)(H,58,73)(H,59,71)(H,60,76)(H,61,77)(H,62,74)(H,63,79)(H,64,78)(H,67,68)(H,69,70)(H,80,81)/t31-,33+,34+,35+,36+,37+,38+,39+,40+,43+,44+/m1/s1/f/h56-64,67,69,80H

InChIKey: InChIKey=VTIYTABAPKDARV-NBCSSHPXDR
SMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)N

Names:
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-3-carboxy-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]propyl]carbamoyl]butanoic acid

Registries:
    PubChem CID 9963596
    PubChem ID 14939387