(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-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₈₉H₁₅₀N₂₆O₂₄S₂

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](CCCNC(=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](CCCNC(=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](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C89H150N26O24S2/c1-47(2)41-63(110-75(126)57(18-10-13-35-91)102-74(125)56(17-9-12-34-90)103-79(130)61(30-31-69(94)120)107-82(133)64(43-51-22-26-53(118)27-23-51)109-72(123)49(5)101-73(124)55(93)32-39-140-7)81(132)105-60(21-16-38-100-89(97)98)78(129)114-68(46-116)85(136)108-62(33-40-141-8)80(131)115-71(50(6)117)86(137)112-66(45-70(121)122)84(135)104-58(19-11-14-36-92)76(127)111-65(44-52-24-28-54(119)29-25-52)83(134)106-59(20-15-37-99-88(95)96)77(128)113-67(87(138)139)42-48(3)4/h22-29,47-50,55-68,71,116-119H,9-21,30-46,90-93H2,1-8H3,(H2,94,120)(H,101,124)(H,102,125)(H,103,130)(H,104,135)(H,105,132)(H,106,134)(H,107,133)(H,108,136)(H,109,123)(H,110,126)(H,111,127)(H,112,137)(H,113,128)(H,114,129)(H,115,131)(H,121,122)(H,138,139)(H4,95,96,99)(H4,97,98,100)/t49-,50+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-/m0/s1

InChIKey

NENHLGCMNJXZIT-CHIVIRHZSA-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-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591675