(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[6-[[6-[(2s)-2-[[(2s)-5-amino-1-[[(2s,3s)-1-[[(2s,3r)-1-[[(2s)-1-[[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-oxohexyl]amino]hexanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₇₅H₁₁₅N₁₅O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCCCCNCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C75H115N15O20/c1-9-43(6)62(71(104)89-64(45(8)93)73(106)84-52(35-42(4)5)67(100)86-55(75(109)110)37-47-39-79-49-25-18-17-24-48(47)49)87-65(98)50(29-30-58(76)94)81-70(103)57-26-21-33-90(57)61(97)28-16-12-20-32-78-31-19-11-15-27-60(96)80-56(40-91)69(102)88-63(44(7)92)72(105)83-51(34-41(2)3)66(99)82-53(38-59(77)95)68(101)85-54(74(107)108)36-46-22-13-10-14-23-46/h10,13-14,17-18,22-25,39,41-45,50-57,62-64,78-79,91-93H,9,11-12,15-16,19-21,26-38,40H2,1-8H3,(H2,76,94)(H2,77,95)(H,80,96)(H,81,103)(H,82,99)(H,83,105)(H,84,106)(H,85,101)(H,86,100)(H,87,98)(H,88,102)(H,89,104)(H,107,108)(H,109,110)/t43-,44+,45+,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1

InChIKey

DQWJJSQVNMPJNT-JVFWASJLSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[6-[[6-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-oxohexyl]amino]hexanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 485313