Gc473

Structural Information

Molecular Formula

C₈₁H₁₃₄N₃₂O₂₇

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C81H134N32O27/c82-32-2-1-8-53(77(139)140)111-74(136)54(38-40-14-16-41(114)17-15-40)112-75(137)55-13-7-37-113(55)76(138)52(12-6-36-99-81(94)95)110-73(135)51(24-31-63(124)125)109-68(130)45(11-5-35-98-80(92)93)104-70(132)48(21-28-59(87)118)106-72(134)50(23-30-62(122)123)108-67(129)44(10-4-34-97-79(90)91)103-69(131)47(20-27-58(86)117)105-71(133)49(22-29-61(120)121)107-66(128)43(9-3-33-96-78(88)89)101-60(119)39-100-65(127)46(19-26-57(85)116)102-64(126)42(83)18-25-56(84)115/h14-17,42-55,114H,1-13,18-39,82-83H2,(H2,84,115)(H2,85,116)(H2,86,117)(H2,87,118)(H,100,127)(H,101,119)(H,102,126)(H,103,131)(H,104,132)(H,105,133)(H,106,134)(H,107,128)(H,108,129)(H,109,130)(H,110,135)(H,111,136)(H,112,137)(H,120,121)(H,122,123)(H,124,125)(H,139,140)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1

InChIKey

DPUGDUOIMKQCTQ-UPEIZNPCSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Related CIDs

• CID 16130180