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

Structural Information

Molecular Formula

C₈₆H₁₄₄N₂₆O₂₄S

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](C)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)CNC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C86H144N26O24S/c1-45(2)38-60(107-73(124)55(17-9-12-33-88)101-72(123)54(16-8-11-32-87)102-77(128)59(29-30-66(91)117)106-79(130)61(40-49-21-25-51(115)26-22-49)100-67(118)43-98-71(122)53(90)31-37-137-7)78(129)104-58(20-15-36-97-86(94)95)76(127)111-65(44-113)82(133)99-47(5)70(121)112-69(48(6)114)83(134)109-63(42-68(119)120)81(132)103-56(18-10-13-34-89)74(125)108-62(41-50-23-27-52(116)28-24-50)80(131)105-57(19-14-35-96-85(92)93)75(126)110-64(84(135)136)39-46(3)4/h21-28,45-48,53-65,69,113-116H,8-20,29-44,87-90H2,1-7H3,(H2,91,117)(H,98,122)(H,99,133)(H,100,118)(H,101,123)(H,102,128)(H,103,132)(H,104,129)(H,105,131)(H,106,130)(H,107,124)(H,108,125)(H,109,134)(H,110,126)(H,111,127)(H,112,121)(H,119,120)(H,135,136)(H4,92,93,96)(H4,94,95,97)/t47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,69-/m0/s1

InChIKey

CVXHPPZMUSWYRG-JGSDTNOUSA-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]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591684