Keghqmkdcterqanf

Structural Information

Molecular Formula

C₇₈H₁₂₄N₂₆O₂₇S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C78H124N26O27S2/c1-38(63(116)100-51(32-57(84)108)73(126)102-53(77(130)131)30-40-12-5-4-6-13-40)91-66(119)46(17-21-55(82)106)96-67(120)44(16-11-28-88-78(85)86)95-70(123)48(20-24-60(112)113)99-76(129)62(39(2)105)104-75(128)54(36-132)103-74(127)52(33-61(114)115)101-68(121)43(15-8-10-27-80)94-71(124)49(25-29-133-3)98-69(122)47(18-22-56(83)107)97-72(125)50(31-41-34-87-37-90-41)92-58(109)35-89-65(118)45(19-23-59(110)111)93-64(117)42(81)14-7-9-26-79/h4-6,12-13,34,37-39,42-54,62,105,132H,7-11,14-33,35-36,79-81H2,1-3H3,(H2,82,106)(H2,83,107)(H2,84,108)(H,87,90)(H,89,118)(H,91,119)(H,92,109)(H,93,117)(H,94,124)(H,95,123)(H,96,120)(H,97,125)(H,98,122)(H,99,129)(H,100,116)(H,101,121)(H,102,126)(H,103,127)(H,104,128)(H,110,111)(H,112,113)(H,114,115)(H,130,131)(H4,85,86,88)/t38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,62-/m0/s1

InChIKey

JZCNZKYQBJKBMM-MTNZBRKKSA-N

Compound name

(4S)-5-[[2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133912