Oh-ala-asn-leu-thr-ser-nh-c(=o)-(ch2)12-c(=o)-n-pro-gln-ile-thr-leu-trp-oh

Structural Information

Molecular Formula

C₇₁H₁₁₄N₁₄O₂₀

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)CCCCCCCCCCCCC(=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](C)C(=O)O

InChI

InChI=1S/C71H114N14O20/c1-10-40(6)58(67(99)84-60(43(9)88)69(101)80-49(33-39(4)5)64(96)81-51(71(104)105)34-44-36-74-46-25-22-21-24-45(44)46)82-61(93)47(29-30-54(72)89)77-66(98)53-26-23-31-85(53)57(92)28-20-18-16-14-12-11-13-15-17-19-27-56(91)76-52(37-86)65(97)83-59(42(8)87)68(100)79-48(32-38(2)3)63(95)78-50(35-55(73)90)62(94)75-41(7)70(102)103/h21-22,24-25,36,38-43,47-53,58-60,74,86-88H,10-20,23,26-35,37H2,1-9H3,(H2,72,89)(H2,73,90)(H,75,94)(H,76,91)(H,77,98)(H,78,95)(H,79,100)(H,80,101)(H,81,96)(H,82,93)(H,83,97)(H,84,99)(H,102,103)(H,104,105)/t40-,41-,42+,43+,47-,48-,49-,50-,51-,52-,53-,58-,59-,60-/m0/s1

InChIKey

VJCNYTUCXARYHQ-ABIYGCPHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[14-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxyethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-14-oxotetradecanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Related CIDs

• CID 5481211