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

Structural Information

Molecular Formula

C₆₀H₁₀₂N₁₆O₂₂S₂

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]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)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/C60H102N16O22S2/c1-12-27(4)44(56(93)69-36(60(97)98)20-23-100-11)73-58(95)46(32(9)79)74-49(86)30(7)65-54(91)39-14-13-21-76(39)59(96)37(24-41(63)81)70-57(94)45(31(8)78)75-55(92)43(26(2)3)72-52(89)33(15-17-40(62)80)68-53(90)38(25-77)71-51(88)35(19-22-99-10)67-48(85)29(6)64-50(87)34(16-18-42(82)83)66-47(84)28(5)61/h26-39,43-46,77-79H,12-25,61H2,1-11H3,(H2,62,80)(H2,63,81)(H,64,87)(H,65,91)(H,66,84)(H,67,85)(H,68,90)(H,69,93)(H,70,94)(H,71,88)(H,72,89)(H,73,95)(H,74,86)(H,75,92)(H,82,83)(H,97,98)/t27-,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-,46-/m0/s1

InChIKey

RXLHCBBBDAQFBI-OHHLZDOKSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-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 5482403