(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-carbamoyl-propanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid
Molecular Formula:
C48H75N11O16S
InChI: InChI=1/C48H75N11O16S/c1-7-24(4)39(46(72)56-31(21-36(50)63)43(69)52-28(14-15-35(49)62)40(66)53-29(16-18-76-6)41(67)57-33(48(74)75)19-23(2)3)58-44(70)32(22-37(64)65)54-42(68)30(20-26-10-12-27(61)13-11-26)55-45(71)34-9-8-17-59(34)47(73)38(51)25(5)60/h10-13,23-25,28-34,38-39,60-61H,7-9,14-22,51H2,1-6H3,(H2,49,62)(H2,50,63)(H,52,69)(H,53,66)(H,54,68)(H,55,71)(H,56,72)(H,57,67)(H,58,70)(H,64,65)(H,74,75)/t24-,25+,28-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1/f/h52-58,64,74H,49-50H2
InChIKey: InChIKey=WJOXCCXUSFLJLU-UVBWKZBKDF
SMILES: CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C(C)O)N
Names:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-carbamoyl-propanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid
Registries:
PubChem CID 444115
PubChem ID 11567733
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