Oh-phe-asn-leu-thr-ser-nh-c(=o)-(ch2)12-c(=o)-n-pro-gln-ile-thr-leu-ala-oh

Structural Information

Molecular Formula

C₆₉H₁₁₃N₁₃O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C69H113N13O20/c1-10-40(6)56(65(96)81-58(43(9)85)67(98)76-46(33-38(2)3)60(91)72-41(7)68(99)100)79-59(90)45(30-31-52(70)86)74-64(95)51-27-24-32-82(51)55(89)29-23-18-16-14-12-11-13-15-17-22-28-54(88)73-50(37-83)63(94)80-57(42(8)84)66(97)77-47(34-39(4)5)61(92)75-48(36-53(71)87)62(93)78-49(69(101)102)35-44-25-20-19-21-26-44/h19-21,25-26,38-43,45-51,56-58,83-85H,10-18,22-24,27-37H2,1-9H3,(H2,70,86)(H2,71,87)(H,72,91)(H,73,88)(H,74,95)(H,75,92)(H,76,98)(H,77,97)(H,78,93)(H,79,90)(H,80,94)(H,81,96)(H,99,100)(H,101,102)/t40-,41-,42+,43+,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-/m0/s1

InChIKey

XWYSJVQXXCDTPI-NOQAKVDCSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[14-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-14-oxotetradecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471177