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

Structural Information

Molecular Formula

C₇₅H₁₁₇N₁₃O₂₀

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](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=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](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C75H117N13O20/c1-9-45(6)62(71(102)87-64(47(8)91)73(104)82-52(38-44(4)5)67(98)83-54(74(105)106)39-48-27-20-18-21-28-48)85-65(96)50(34-35-58(76)92)79-70(101)57-31-26-36-88(57)61(95)33-25-17-15-13-11-10-12-14-16-24-32-60(94)78-56(42-89)69(100)86-63(46(7)90)72(103)81-51(37-43(2)3)66(97)80-53(41-59(77)93)68(99)84-55(75(107)108)40-49-29-22-19-23-30-49/h18-23,27-30,43-47,50-57,62-64,89-91H,9-17,24-26,31-42H2,1-8H3,(H2,76,92)(H2,77,93)(H,78,94)(H,79,101)(H,80,97)(H,81,103)(H,82,104)(H,83,98)(H,84,99)(H,85,96)(H,86,100)(H,87,102)(H,105,106)(H,107,108)/t45-,46+,47+,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1

InChIKey

GXEWJRWHEDJPNT-ZLSCYENRSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[14-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-14-oxotetradecanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471175