(4S)-4-amino-4-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]butanoic acid
Molecular Formula:
C46H60N8O15
InChI: InChI=1/C46H60N8O15/c1-24(2)18-33(51-40(62)32(47)16-17-39(60)61)43(65)52-34(19-26-4-10-29(56)11-5-26)41(63)48-22-38(59)50-37(23-55)45(67)54-36(21-28-8-14-31(58)15-9-28)44(66)53-35(42(64)49-25(3)46(68)69)20-27-6-12-30(57)13-7-27/h4-15,24-25,32-37,55-58H,16-23,47H2,1-3H3,(H,48,63)(H,49,64)(H,50,59)(H,51,62)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,68,69)/t25-,32-,33-,34-,35-,36-,37-/m0/s1/f/h48-54,60,68H
InChIKey: InChIKey=VFMBDHOUMQQFMY-UHDMDXSVDX
SMILES: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)N
Names:
(4S)-4-amino-4-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]butanoic acid
Registries:
PubChem CID 9832951
PubChem ID 15089819
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