(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[12-[(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]-12-oxododecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₇₅H₁₁₄N₁₄O₂₀

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)CCCCCCCCCCC(=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/C75H114N14O20/c1-9-43(6)62(71(103)88-64(45(8)92)73(105)83-52(35-42(4)5)67(99)85-55(75(108)109)37-47-39-78-49-27-22-21-26-48(47)49)86-65(97)50(31-32-58(76)93)80-70(102)57-28-23-33-89(57)61(96)30-20-15-13-11-10-12-14-19-29-60(95)79-56(40-90)69(101)87-63(44(7)91)72(104)82-51(34-41(2)3)66(98)81-53(38-59(77)94)68(100)84-54(74(106)107)36-46-24-17-16-18-25-46/h16-18,21-22,24-27,39,41-45,50-57,62-64,78,90-92H,9-15,19-20,23,28-38,40H2,1-8H3,(H2,76,93)(H2,77,94)(H,79,95)(H,80,102)(H,81,98)(H,82,104)(H,83,105)(H,84,100)(H,85,99)(H,86,97)(H,87,101)(H,88,103)(H,106,107)(H,108,109)/t43-,44+,45+,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1

InChIKey

RSCRLAMDDVNEQN-JVFWASJLSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[12-[(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]-12-oxododecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471164