Kkkkvvtstyvlvea

Structural Information

Molecular Formula

C₇₈H₁₃₇N₁₉O₂₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C78H137N19O22/c1-39(2)36-54(69(109)93-58(40(3)4)72(112)88-53(30-31-57(102)103)65(105)84-44(11)78(118)119)89-73(113)59(41(5)6)94-70(110)55(37-47-26-28-48(101)29-27-47)90-76(116)62(45(12)99)96-71(111)56(38-98)91-77(117)63(46(13)100)97-75(115)61(43(9)10)95-74(114)60(42(7)8)92-68(108)52(25-17-21-35-82)87-67(107)51(24-16-20-34-81)86-66(106)50(23-15-19-33-80)85-64(104)49(83)22-14-18-32-79/h26-29,39-46,49-56,58-63,98-101H,14-25,30-38,79-83H2,1-13H3,(H,84,105)(H,85,104)(H,86,106)(H,87,107)(H,88,112)(H,89,113)(H,90,116)(H,91,117)(H,92,108)(H,93,109)(H,94,110)(H,95,114)(H,96,111)(H,97,115)(H,102,103)(H,118,119)/t44-,45+,46+,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

SFOLQCNNAGPJDP-RQKDWYBWSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16073149