Ddsvvsaamsysha

Structural Information

Molecular Formula

C₅₉H₉₀N₁₆O₂₄S

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](CO)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/C59H90N16O24S/c1-25(2)44(75-58(97)45(26(3)4)74-56(95)41(23-79)72-52(91)37(18-43(83)84)67-48(87)33(60)17-42(81)82)57(96)73-38(20-76)53(92)64-27(5)46(85)63-28(6)47(86)66-34(13-14-100-8)49(88)70-39(21-77)54(93)68-35(15-30-9-11-32(80)12-10-30)51(90)71-40(22-78)55(94)69-36(16-31-19-61-24-62-31)50(89)65-29(7)59(98)99/h9-12,19,24-29,33-41,44-45,76-80H,13-18,20-23,60H2,1-8H3,(H,61,62)(H,63,85)(H,64,92)(H,65,89)(H,66,86)(H,67,87)(H,68,93)(H,69,94)(H,70,88)(H,71,90)(H,72,91)(H,73,96)(H,74,95)(H,75,97)(H,81,82)(H,83,84)(H,98,99)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,44-,45-/m0/s1

InChIKey

VCXZHUCNXUXTSL-WEQDRNHMSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-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]-3-hydroxy-1-oxopropan-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 16072931