H-ala-glu-ala-met-ser-gln-val-ala-asn-thr-ala-thr-ile-met-oh

Structural Information

Molecular Formula

C₅₈H₁₀₀N₁₆O₂₂S₂

SMILES

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

InChI

InChI=1S/C58H100N16O22S2/c1-13-25(4)42(55(92)68-35(58(95)96)19-21-98-12)72-57(94)44(31(10)77)73-48(85)29(8)64-56(93)43(30(9)76)74-52(89)36(22-39(61)79)69-47(84)28(7)63-54(91)41(24(2)3)71-51(88)32(14-16-38(60)78)67-53(90)37(23-75)70-50(87)34(18-20-97-11)66-46(83)27(6)62-49(86)33(15-17-40(80)81)65-45(82)26(5)59/h24-37,41-44,75-77H,13-23,59H2,1-12H3,(H2,60,78)(H2,61,79)(H,62,86)(H,63,91)(H,64,93)(H,65,82)(H,66,83)(H,67,90)(H,68,92)(H,69,84)(H,70,87)(H,71,88)(H,72,94)(H,73,85)(H,74,89)(H,80,81)(H,95,96)/t25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,41-,42-,43-,44-/m0/s1

InChIKey

VFBRWBYRWNHGPV-IRBYLKKQSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5482404