Ddsvvcaamsysha

Structural Information

Molecular Formula

C₅₉H₉₀N₁₆O₂₃S₂

SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C59H90N16O23S2/c1-25(2)44(75-58(96)45(26(3)4)74-55(93)40(22-78)72-52(90)37(18-43(82)83)67-48(86)33(60)17-42(80)81)57(95)73-41(23-99)56(94)64-27(5)46(84)63-28(6)47(85)66-34(13-14-100-8)49(87)70-38(20-76)53(91)68-35(15-30-9-11-32(79)12-10-30)51(89)71-39(21-77)54(92)69-36(16-31-19-61-24-62-31)50(88)65-29(7)59(97)98/h9-12,19,24-29,33-41,44-45,76-79,99H,13-18,20-23,60H2,1-8H3,(H,61,62)(H,63,84)(H,64,94)(H,65,88)(H,66,85)(H,67,86)(H,68,91)(H,69,92)(H,70,87)(H,71,89)(H,72,90)(H,73,95)(H,74,93)(H,75,96)(H,80,81)(H,82,83)(H,97,98)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,44-,45-/m0/s1

InChIKey

ZSIXLBVARIGURY-WEQDRNHMSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16072929