Dthrwpwyisqe

Structural Information

Molecular Formula

C₇₅H₁₀₀N₂₀O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C75H100N20O21/c1-4-37(2)61(71(112)92-56(35-96)69(110)86-50(21-23-58(77)99)65(106)87-51(74(115)116)22-24-59(100)101)93-68(109)52(27-39-17-19-43(98)20-18-39)88-66(107)53(28-40-32-82-47-13-7-5-11-44(40)47)89-70(111)57-16-10-26-95(57)73(114)55(29-41-33-83-48-14-8-6-12-45(41)48)91-64(105)49(15-9-25-81-75(78)79)85-67(108)54(30-42-34-80-36-84-42)90-72(113)62(38(3)97)94-63(104)46(76)31-60(102)103/h5-8,11-14,17-20,32-34,36-38,46,49-57,61-62,82-83,96-98H,4,9-10,15-16,21-31,35,76H2,1-3H3,(H2,77,99)(H,80,84)(H,85,108)(H,86,110)(H,87,106)(H,88,107)(H,89,111)(H,90,113)(H,91,105)(H,92,112)(H,93,109)(H,94,104)(H,100,101)(H,102,103)(H,115,116)(H4,78,79,81)/t37-,38+,46-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-/m0/s1

InChIKey

DDBITWLDBDIEMA-MUGZTGAMSA-N

Compound name

(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid

Related CIDs

• CID 16131840