(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoylmethylcarbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]propanoic acid

Molecular Formula: C40H62N10O15


InChI: InChI=1/C40H62N10O15/c1-6-20(4)32(42)39(63)50-27(17-51)38(62)44-21(5)33(57)46-25(14-29(41)53)36(60)49-26(15-31(55)56)37(61)48-24(13-22-10-8-7-9-11-22)35(59)47-23(12-19(2)3)34(58)43-16-30(54)45-28(18-52)40(64)65/h7-11,19-21,23-28,32,51-52H,6,12-18,42H2,1-5H3,(H2,41,53)(H,43,58)(H,44,62)(H,45,54)(H,46,57)(H,47,59)(H,48,61)(H,49,60)(H,50,63)(H,55,56)(H,64,65)/t20-,21-,23-,24-,25-,26-,27-,28-,32-/m0/s1/f/h43-50,55,64H,41H2

InChIKey: InChIKey=VBYPKXSROFAXQN-KSTLSNQWDH
SMILES: CCC(C)C(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)O)N

Names:
    (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoylmethylcarbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]propanoic acid

Registries:
    PubChem CID 10147742
    PubChem ID 15138814