(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid
Molecular Formula:
C48H64N10O16
InChI: InChI=1/C48H64N10O16/c1-24(2)17-37(48(73)74)57-47(72)38(23-60)58-46(71)36(21-40(51)65)56-45(70)35(20-27-7-13-30(63)14-8-27)55-44(69)34(19-26-5-11-29(62)12-6-26)54-43(68)33(18-25-3-9-28(61)10-4-25)53-42(67)32(15-16-39(50)64)52-41(66)31(49)22-59/h3-14,24,31-38,59-63H,15-23,49H2,1-2H3,(H2,50,64)(H2,51,65)(H,52,66)(H,53,67)(H,54,68)(H,55,69)(H,56,70)(H,57,72)(H,58,71)(H,73,74)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1/f/h52-58,73H,50-51H2
InChIKey: InChIKey=LPOKUYGNWKIPJK-XZYKAYFBDT
SMILES: CC(C)CC(C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)N
Names:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid
Registries:
PubChem CID 6914596
PubChem ID 11538429
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