(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-methyl-butanoic acid
Molecular Formula:
C51H83N11O13S
InChI: InChI=1/C51H83N11O13S/c1-11-28(8)41(49(72)62-42(29(9)64)50(73)56-34(16-17-39(53)65)45(68)60-40(27(6)7)51(74)75)61-48(71)38(22-30-23-54-33-15-13-12-14-31(30)33)59-44(67)35(18-19-76-10)55-46(69)37(21-26(4)5)58-47(70)36(20-25(2)3)57-43(66)32(52)24-63/h12-15,23,25-29,32,34-38,40-42,54,63-64H,11,16-22,24,52H2,1-10H3,(H2,53,65)(H,55,69)(H,56,73)(H,57,66)(H,58,70)(H,59,67)(H,60,68)(H,61,71)(H,62,72)(H,74,75)/t28-,29+,32-,34-,35-,36-,37-,38-,40-,41-,42-/m0/s1/f/h55-62,74H,53H2
InChIKey: InChIKey=ALKDSCJIIOCHED-USYWQACRDO
SMILES: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)N
Names:
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-methyl-butanoic acid
Registries:
PubChem CID 4369405
PubChem ID 11567466
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