(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₈₂H₁₄₄N₂₆O₂₃S₂

SMILES

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

InChI

InChI=1S/C82H144N26O23S2/c1-43(2)37-57(103-69(119)51(18-10-13-31-84)97-68(118)50(17-9-12-30-83)98-73(123)55(26-27-62(87)112)96-66(116)45(5)95-63(113)41-94-67(117)49(86)28-35-132-7)75(125)100-54(21-16-34-93-82(90)91)72(122)107-61(42-109)78(128)102-56(29-36-133-8)74(124)108-65(46(6)110)79(129)105-59(40-64(114)115)77(127)99-52(19-11-14-32-85)70(120)104-58(39-47-22-24-48(111)25-23-47)76(126)101-53(20-15-33-92-81(88)89)71(121)106-60(80(130)131)38-44(3)4/h22-25,43-46,49-61,65,109-111H,9-21,26-42,83-86H2,1-8H3,(H2,87,112)(H,94,117)(H,95,113)(H,96,116)(H,97,118)(H,98,123)(H,99,127)(H,100,125)(H,101,126)(H,102,128)(H,103,119)(H,104,120)(H,105,129)(H,106,121)(H,107,122)(H,108,124)(H,114,115)(H,130,131)(H4,88,89,92)(H4,90,91,93)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-/m0/s1

InChIKey

SRVZHBCIZVBPSK-UOHQQJPQSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591676