Adlevvaatyvdda

Structural Information

Molecular Formula

C₆₃H₉₈N₁₄O₂₅

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

InChI

InChI=1S/C63H98N14O25/c1-25(2)20-37(70-56(94)40(23-44(84)85)69-50(88)29(9)64)55(93)68-36(18-19-42(80)81)53(91)74-48(28(7)8)61(99)76-46(26(3)4)59(97)66-30(10)51(89)65-31(11)52(90)77-49(33(13)78)62(100)72-38(21-34-14-16-35(79)17-15-34)58(96)75-47(27(5)6)60(98)73-41(24-45(86)87)57(95)71-39(22-43(82)83)54(92)67-32(12)63(101)102/h14-17,25-33,36-41,46-49,78-79H,18-24,64H2,1-13H3,(H,65,89)(H,66,97)(H,67,92)(H,68,93)(H,69,88)(H,70,94)(H,71,95)(H,72,100)(H,73,98)(H,74,91)(H,75,96)(H,76,99)(H,77,90)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,101,102)/t29-,30-,31-,32-,33+,36-,37-,38-,39-,40-,41-,46-,47-,48-,49-/m0/s1

InChIKey

YBMBDCGTFLUSJS-CXBGZYJMSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-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 16186472