124932-61-2

Structural Information

Molecular Formula

C₈₀H₁₂₅N₂₃O₂₅

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)N)O

InChI

InChI=1S/C80H125N23O25/c1-38(2)28-48(65(113)87-34-59(110)91-52(35-104)76(124)101-25-11-15-54(101)71(119)92-46(14-10-24-86-80(83)84)67(115)97-53(36-105)79(127)128)90-58(109)33-88-66(114)49(29-43-18-20-45(107)21-19-43)95-73(121)56-17-12-26-102(56)77(125)63(41(7)8)99-75(123)62(40(5)6)98-69(117)50(30-44-32-85-37-89-44)94-68(116)47(22-23-60(111)112)93-72(120)55-16-13-27-103(55)78(126)64(42(9)106)100-70(118)51(31-57(81)108)96-74(122)61(82)39(3)4/h18-21,32,37-42,46-56,61-64,104-107H,10-17,22-31,33-36,82H2,1-9H3,(H2,81,108)(H,85,89)(H,87,113)(H,88,114)(H,90,109)(H,91,110)(H,92,119)(H,93,120)(H,94,116)(H,95,121)(H,96,122)(H,97,115)(H,98,117)(H,99,123)(H,100,118)(H,111,112)(H,127,128)(H4,83,84,86)/t42-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,61+,62+,63+,64+/m1/s1

InChIKey

BRYRNUOCVAYNNI-REJYVRQKSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 131698140