Dddevvaatyvlva

Structural Information

Molecular Formula

C₆₅H₁₀₂N₁₄O₂₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C65H102N14O25/c1-26(2)21-39(58(96)76-47(27(3)4)61(99)69-33(13)65(103)104)73-62(100)49(29(7)8)77-59(97)40(22-35-15-17-36(81)18-16-35)74-64(102)51(34(14)80)79-53(91)32(12)67-52(90)31(11)68-60(98)48(28(5)6)78-63(101)50(30(9)10)75-55(93)38(19-20-43(82)83)70-56(94)42(25-46(88)89)72-57(95)41(24-45(86)87)71-54(92)37(66)23-44(84)85/h15-18,26-34,37-42,47-51,80-81H,19-25,66H2,1-14H3,(H,67,90)(H,68,98)(H,69,99)(H,70,94)(H,71,92)(H,72,95)(H,73,100)(H,74,102)(H,75,93)(H,76,96)(H,77,97)(H,78,101)(H,79,91)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,103,104)/t31-,32-,33-,34+,37-,38-,39-,40-,41-,42-,47-,48-,49-,50-,51-/m0/s1

InChIKey

WBOQZEGZDPEAST-JSNNEWDNSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186469