Qog7vhu2lu

Structural Information

Molecular Formula

C₈₇H₁₃₃N₁₉O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C87H133N19O29/c1-13-44(10)70(105-75(122)52(20-16-17-29-88)95-86(133)71(46(12)108)106-82(129)61(37-68(117)118)101-74(121)54(26-28-66(113)114)94-84(131)69(90)43(8)9)85(132)102-60(36-67(115)116)81(128)97-55(30-40(2)3)77(124)99-58(34-48-38-91-51-19-15-14-18-50(48)51)80(127)104-63(39-107)83(130)98-57(33-47-21-23-49(109)24-22-47)79(126)100-59(35-64(89)110)76(123)92-45(11)72(119)93-53(25-27-65(111)112)73(120)96-56(31-41(4)5)78(125)103-62(87(134)135)32-42(6)7/h14-15,18-19,21-24,38,40-46,52-63,69-71,91,107-109H,13,16-17,20,25-37,39,88,90H2,1-12H3,(H2,89,110)(H,92,123)(H,93,119)(H,94,131)(H,95,133)(H,96,120)(H,97,128)(H,98,130)(H,99,124)(H,100,126)(H,101,121)(H,102,132)(H,103,125)(H,104,127)(H,105,122)(H,106,129)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,134,135)/t44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-/m0/s1

InChIKey

GIKLOXPFVONKJH-PJLATTGVSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 134812039