(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-hydroxy-ethyl]butanediamide

Molecular Formula: C59H82N14O18


InChI: InChI=1/C59H82N14O18/c1-31(2)21-39(56(88)72-49(32(3)77)59(91)66-38(50(62)82)22-33-11-6-4-7-12-33)65-47(80)26-63-52(84)43(29-75)70-55(87)42(25-46(61)79)68-53(85)40(23-34-13-8-5-9-14-34)67-57(89)44(30-76)71-54(86)41(24-35-16-18-36(78)19-17-35)69-58(90)45-15-10-20-73(45)48(81)27-64-51(83)37(60)28-74/h4-9,11-14,16-19,31-32,37-45,49,74-78H,10,15,20-30,60H2,1-3H3,(H2,61,79)(H2,62,82)(H,63,84)(H,64,83)(H,65,80)(H,66,91)(H,67,89)(H,68,85)(H,69,90)(H,70,87)(H,71,86)(H,72,88)/t32-,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+/m1/s1/f/h63-72H,61-62H2

InChIKey: InChIKey=ULORYJBIPHKGST-HHWXRXQADQ
SMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)CNC(=O)C(CO)N

Names:
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-hydroxy-ethyl]butanediamide

Registries:
    PubChem CID 131789
    PubChem ID 10242967