Nh2-pro-ser-thr-trp-pro-thr-phe-leu-lys-phe-gln-leu-lys-cooh

Structural Information

Molecular Formula

C₇₉H₁₁₇N₁₇O₁₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H]6CCCN6)O

InChI

InChI=1S/C79H117N17O18/c1-44(2)37-57(70(104)85-54(27-15-17-33-80)68(102)90-59(39-48-21-9-7-10-22-48)72(106)86-55(31-32-64(82)100)69(103)88-58(38-45(3)4)71(105)87-56(79(113)114)28-16-18-34-81)89-73(107)60(40-49-23-11-8-12-24-49)91-76(110)66(47(6)99)95-75(109)63-30-20-36-96(63)78(112)61(41-50-42-84-52-26-14-13-25-51(50)52)92-77(111)65(46(5)98)94-74(108)62(43-97)93-67(101)53-29-19-35-83-53/h7-14,21-26,42,44-47,53-63,65-66,83-84,97-99H,15-20,27-41,43,80-81H2,1-6H3,(H2,82,100)(H,85,104)(H,86,106)(H,87,105)(H,88,103)(H,89,107)(H,90,102)(H,91,110)(H,92,111)(H,93,101)(H,94,108)(H,95,109)(H,113,114)/t46-,47-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,65+,66+/m1/s1

InChIKey

PDZLWEOHHDACGX-KATMUFQDSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Related CIDs

• CID 16197773